N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide

C27H40FN3O2 — CID 58033739

IUPACN-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESCC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)CCN3CCCC3=O)c3ccc(F)cc32)CC1
InChIInChI=1S/C27H40FN3O2/c1-26(2,3)11-16-30-17-12-27(13-18-30)10-8-23(21-7-6-20(28)19-22(21)27)29-24(32)9-15-31-14-4-5-25(31)33/h6-7,19,23H,4-5,8-18H2,1-3H3,(H,29,32)/t23-/m1/s1
InChIKeyNKBNEUSLVDELNI-HSZRJFAPSA-N
MW457.63 g/mol
LogP4.56
Rot. Bonds6

About N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide

N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 58033739) has the molecular formula C27H40FN3O2 and a molecular weight of 457.63 g/mol. Its IUPAC name is N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
PubChem CID58033739
Molecular FormulaC27H40FN3O2
Molecular Weight457.63 g/mol
Exact Mass457.31
IUPAC NameN-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESCC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)CCN3CCCC3=O)c3ccc(F)cc32)CC1
InChIInChI=1S/C27H40FN3O2/c1-26(2,3)11-16-30-17-12-27(13-18-30)10-8-23(21-7-6-20(28)19-22(21)27)29-24(32)9-15-31-14-4-5-25(31)33/h6-7,19,23H,4-5,8-18H2,1-3H3,(H,29,32)/t23-/m1/s1
InChIKeyNKBNEUSLVDELNI-HSZRJFAPSA-N
XLogP4.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.63
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3,3-Dimethyl-2-(2-Methylamino-Propionylamino)-Butyryl]-Pyrrolidine-2-Carboxylic Acid(1,2,3,4-Tetrahydro-Naphthalen-1-Yl)-Amide
CID 4369343
(1r,4's)-3,4-Dihydro-2h-Spiro[naphthalene-1,3'-Pyrrolidin]-4'-Yl[(2s,4r)-2,4-Diphenylpiperidin-1-Yl]methanone
CID 54765328
(2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 11166638
(2S)-1-[(2S)-3,3-dimethyl-2-[(2R)-2-(methylamino)propanamido]butanoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 11351234
1-benzyl-N-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 24819950
Rac-4-(4-fluoro-phenyl)-8-(1-o-tolyl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11407510
Rac-8-[1-(4-fluoro-phenyl)-cyclohexyl]-4-propyl-2,8-diaza-spiro[4.5]decan-1-one
CID 44414876
(2S)-1-[(2S)-2-[(2S)-2-(dimethylamino)propanamido]-3,3-dimethylbutanoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 11282499
1-(2-fluorobenzyl)-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-3-piperidinecarboxamide
CID 24790737
(1-((1R,4R)-4-((R)-1-(4-fluorophenyl)ethylamino)-2,2-dimethylcyclohexanecarbonyl)-4-phenylpiperidin-4-yl)(pyrrolidin-1-yl)methanone
CID 45271861
1-benzyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide
CID 54752459
1-benzyl-N-[2-(4-fluorophenyl)-2-propylpentyl]piperidine-4-carboxamide
CID 56658275

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]-3-(2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide (CID 58033739) is N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide is CC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)CCN3CCCC3=O)c3ccc(F)cc32)CC1.
What is the InChIKey of N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is NKBNEUSLVDELNI-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H40FN3O2/c1-26(2,3)11-16-30-17-12-27(13-18-30)10-8-23(21-7-6-20(28)19-22(21)27)29-24(32)9-15-31-14-4-5-25(31)33/h6-7,19,23H,4-5,8-18H2,1-3H3,(H,29,32)/t23-/m1/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]-3-(2-oxopyrrolidin-1-yl)propanamide?
N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 457.63 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 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]-3-(2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 58033739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).