(3S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-hydroxybutanamide

C24H38N2O2 — CID 24876671

IUPAC(3S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-hydroxybutanamide
SMILESC[C@H](O)CC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21
InChIInChI=1S/C24H38N2O2/c1-18(27)17-22(28)25-21-9-10-24(20-8-6-5-7-19(20)21)12-15-26(16-13-24)14-11-23(2,3)4/h5-8,18,21,27H,9-17H2,1-4H3,(H,25,28)/t18-,21-/m0/s1
InChIKeyCIXSYCZTDMYLTQ-RXVVDRJESA-N
MW386.58 g/mol
LogP4.18
Rot. Bonds5

About (3S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-hydroxybutanamide

(3S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-hydroxybutanamide (PubChem CID 24876671) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is (3S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-hydroxybutanamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-hydroxybutanamide
PubChem CID24876671
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name(3S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-hydroxybutanamide
SMILESC[C@H](O)CC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21
InChIInChI=1S/C24H38N2O2/c1-18(27)17-22(28)25-21-9-10-24(20-8-6-5-7-19(20)21)12-15-26(16-13-24)14-11-23(2,3)4/h5-8,18,21,27H,9-17H2,1-4H3,(H,25,28)/t18-,21-/m0/s1
InChIKeyCIXSYCZTDMYLTQ-RXVVDRJESA-N
XLogP4.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 159541063
N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 159541064
(2S)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxopyrrolidin-1-yl)propanamide;molecular hydrogen
CID 158227275
N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1-methylpyrazole-4-carboxamide
CID 58033820
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 58033753
[(2R)-1-[[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]amino]-2-(2-oxopiperidin-1-yl)propylidene]cobalt
CID 143532963
(2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide
CID 58033881
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen
CID 162068259
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide;molecular hydrogen
CID 158833215
(2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide;molecular hydrogen
CID 157199954
N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide
CID 24875818
4-[(1S)-1-ethylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]-2,2-dimethyl-N-[1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]butanamide
CID 147446010

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-hydroxybutanamide?
The IUPAC name of (3S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-hydroxybutanamide (CID 24876671) is (3S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-hydroxybutanamide.
What is the SMILES notation for (3S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-hydroxybutanamide?
The canonical SMILES for (3S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-hydroxybutanamide is C[C@H](O)CC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.
What is the InChIKey of (3S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-hydroxybutanamide?
The InChIKey is CIXSYCZTDMYLTQ-RXVVDRJESA-N. The full InChI is InChI=1S/C24H38N2O2/c1-18(27)17-22(28)25-21-9-10-24(20-8-6-5-7-19(20)21)12-15-26(16-13-24)14-11-23(2,3)4/h5-8,18,21,27H,9-17H2,1-4H3,(H,25,28)/t18-,21-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-hydroxybutanamide?
(3S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-hydroxybutanamide has a molecular weight of 386.58 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-hydroxybutanamide is sourced from PubChem (CID 24876671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).