1-[(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]-N-phenylpiperidine-4-carboxamide

C29H33N3O3 — CID 41367937

IUPAC1-[(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]-N-phenylpiperidine-4-carboxamide
SMILESCC(C)[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C29H33N3O3/c1-20(2)27(31-26(33)19-23-11-8-10-21-9-6-7-14-25(21)23)29(35)32-17-15-22(16-18-32)28(34)30-24-12-4-3-5-13-24/h3-14,20,22,27H,15-19H2,1-2H3,(H,30,34)(H,31,33)/t27-/m1/s1
InChIKeyQJPOHOCUXISKSL-HHHXNRCGSA-N
MW471.60 g/mol
LogP4.40
Rot. Bonds7

About 1-[(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]-N-phenylpiperidine-4-carboxamide

1-[(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 41367937) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is 1-[(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]-N-phenylpiperidine-4-carboxamide
PubChem CID41367937
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name1-[(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]-N-phenylpiperidine-4-carboxamide
SMILESCC(C)[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C29H33N3O3/c1-20(2)27(31-26(33)19-23-11-8-10-21-9-6-7-14-25(21)23)29(35)32-17-15-22(16-18-32)28(34)30-24-12-4-3-5-13-24/h3-14,20,22,27H,15-19H2,1-2H3,(H,30,34)(H,31,33)/t27-/m1/s1
InChIKeyQJPOHOCUXISKSL-HHHXNRCGSA-N
XLogP4.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]-N-phenylpiperidine-4-carboxamide 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

N-[(2S)-1-(4-benzoylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide
CID 41235170
1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-4-carboxylic acid
CID 119166665
1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 18089122
(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 2084038
(2S)-N-(4-tert-butylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 7610874
1-(2-acetamido-3-methylbutanoyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 47026893
1-[2-[(2-chloro-4-nitrobenzoyl)amino]-3-methylbutanoyl]-N-phenylpiperidine-4-carboxamide
CID 47009685
4-N-(1-naphthalen-1-ylethyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42907490
N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 9036546
N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide;hydrochloride
CID 119373353
N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 17471908
phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 9138862

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]-N-phenylpiperidine-4-carboxamide (CID 41367937) is 1-[(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]-N-phenylpiperidine-4-carboxamide is CC(C)[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is QJPOHOCUXISKSL-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-20(2)27(31-26(33)19-23-11-8-10-21-9-6-7-14-25(21)23)29(35)32-17-15-22(16-18-32)28(34)30-24-12-4-3-5-13-24/h3-14,20,22,27H,15-19H2,1-2H3,(H,30,34)(H,31,33)/t27-/m1/s1.
What are the key properties of 1-[(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]-N-phenylpiperidine-4-carboxamide?
1-[(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 41367937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).