N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(oxan-4-yl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen

C76H117F3N6O5 — CID 158000047

IUPACN-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(oxan-4-yl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen
SMILESCC(=O)CCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21.CC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)CC3CCOCC3)c3ccc(F)cc32)CC1.CC(C)(C)CCN1CCC2(CC[C@H](N3CCCC3=O)c3ccc(F)cc32)CC1.[H][H].[H][H]
InChIInChI=1S/C27H41FN2O2.C25H37FN2O2.C24H35FN2O.2H2/c1-26(2,3)10-13-30-14-11-27(12-15-30)9-6-24(22-5-4-21(28)19-23(22)27)29-25(31)18-20-7-16-32-17-8-20;1-18(29)5-8-23(30)27-22-9-10-25(21-17-19(26)6-7-20(21)22)12-15-28(16-13-25)14-11-24(2,3)4;1-23(2,3)10-14-26-15-11-24(12-16-26)9-8-21(27-13-4-5-22(27)28)19-7-6-18(25)17-20(19)24;;/h4-5,19-20,24H,6-18H2,1-3H3,(H,29,31);6-7,17,22H,5,8-16H2,1-4H3,(H,27,30);6-7,17,21H,4-5,8-16H2,1-3H3;2*1H/t24-;22-;21-;;/m100../s1
InChIKeyFDPSQAYZFAHHEL-DUZFJWNPSA-N
MW1251.80 g/mol
LogP15.82
Rot. Bonds14

About N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(oxan-4-yl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen

N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(oxan-4-yl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen (PubChem CID 158000047) has the molecular formula C76H117F3N6O5 and a molecular weight of 1251.80 g/mol. Its IUPAC name is N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(oxan-4-yl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen.

Molecular Properties

Compound NameN-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(oxan-4-yl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen
PubChem CID158000047
Molecular FormulaC76H117F3N6O5
Molecular Weight1251.80 g/mol
Exact Mass1250.90
IUPAC NameN-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(oxan-4-yl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen
SMILESCC(=O)CCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21.CC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)CC3CCOCC3)c3ccc(F)cc32)CC1.CC(C)(C)CCN1CCC2(CC[C@H](N3CCCC3=O)c3ccc(F)cc32)CC1.[H][H].[H][H]
InChIInChI=1S/C27H41FN2O2.C25H37FN2O2.C24H35FN2O.2H2/c1-26(2,3)10-13-30-14-11-27(12-15-30)9-6-24(22-5-4-21(28)19-23(22)27)29-25(31)18-20-7-16-32-17-8-20;1-18(29)5-8-23(30)27-22-9-10-25(21-17-19(26)6-7-20(21)22)12-15-28(16-13-25)14-11-24(2,3)4;1-23(2,3)10-14-26-15-11-24(12-16-26)9-8-21(27-13-4-5-22(27)28)19-7-6-18(25)17-20(19)24;;/h4-5,19-20,24H,6-18H2,1-3H3,(H,29,31);6-7,17,22H,5,8-16H2,1-4H3,(H,27,30);6-7,17,21H,4-5,8-16H2,1-3H3;2*1H/t24-;22-;21-;;/m100../s1
InChIKeyFDPSQAYZFAHHEL-DUZFJWNPSA-N
XLogP15.82
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001251.80
LogP ≤ 515.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(oxan-4-yl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(oxan-4-yl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen?
The IUPAC name of N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(oxan-4-yl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen (CID 158000047) is N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(oxan-4-yl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen.
What is the SMILES notation for N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(oxan-4-yl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen?
The canonical SMILES for N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(oxan-4-yl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen is CC(=O)CCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21.CC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)CC3CCOCC3)c3ccc(F)cc32)CC1.CC(C)(C)CCN1CCC2(CC[C@H](N3CCCC3=O)c3ccc(F)cc32)CC1.[H][H].[H][H].
What is the InChIKey of N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(oxan-4-yl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen?
The InChIKey is FDPSQAYZFAHHEL-DUZFJWNPSA-N. The full InChI is InChI=1S/C27H41FN2O2.C25H37FN2O2.C24H35FN2O.2H2/c1-26(2,3)10-13-30-14-11-27(12-15-30)9-6-24(22-5-4-21(28)19-23(22)27)29-25(31)18-20-7-16-32-17-8-20;1-18(29)5-8-23(30)27-22-9-10-25(21-17-19(26)6-7-20(21)22)12-15-28(16-13-25)14-11-24(2,3)4;1-23(2,3)10-14-26-15-11-24(12-16-26)9-8-21(27-13-4-5-22(27)28)19-7-6-18(25)17-20(19)24;;/h4-5,19-20,24H,6-18H2,1-3H3,(H,29,31);6-7,17,22H,5,8-16H2,1-4H3,(H,27,30);6-7,17,21H,4-5,8-16H2,1-3H3;2*1H/t24-;22-;21-;;/m100../s1.
What are the key properties of N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(oxan-4-yl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen?
N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(oxan-4-yl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen has a molecular weight of 1251.80 g/mol, XLogP of 15.82, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(oxan-4-yl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen is sourced from PubChem (CID 158000047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).