(3S)-N-(cyclopropylmethyl)-1-[(2R)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]piperidine-3-carboxamide

C27H35N3O3 — CID 97011311

IUPAC(3S)-N-(cyclopropylmethyl)-1-[(2R)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]piperidine-3-carboxamide
SMILESCC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1
InChIInChI=1S/C27H35N3O3/c1-18(2)25(29-24(31)15-20-11-12-21-6-3-4-7-22(21)14-20)27(33)30-13-5-8-23(17-30)26(32)28-16-19-9-10-19/h3-4,6-7,11-12,14,18-19,23,25H,5,8-10,13,15-17H2,1-2H3,(H,28,32)(H,29,31)/t23-,25+/m0/s1
InChIKeyULJAYSSZDICSKC-UKILVPOCSA-N
MW449.60 g/mol
LogP3.29
Rot. Bonds8

About (3S)-N-(cyclopropylmethyl)-1-[(2R)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]piperidine-3-carboxamide

(3S)-N-(cyclopropylmethyl)-1-[(2R)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]piperidine-3-carboxamide (PubChem CID 97011311) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is (3S)-N-(cyclopropylmethyl)-1-[(2R)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(cyclopropylmethyl)-1-[(2R)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]piperidine-3-carboxamide
PubChem CID97011311
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC Name(3S)-N-(cyclopropylmethyl)-1-[(2R)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]piperidine-3-carboxamide
SMILESCC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1
InChIInChI=1S/C27H35N3O3/c1-18(2)25(29-24(31)15-20-11-12-21-6-3-4-7-22(21)14-20)27(33)30-13-5-8-23(17-30)26(32)28-16-19-9-10-19/h3-4,6-7,11-12,14,18-19,23,25H,5,8-10,13,15-17H2,1-2H3,(H,28,32)(H,29,31)/t23-,25+/m0/s1
InChIKeyULJAYSSZDICSKC-UKILVPOCSA-N
XLogP3.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-N-(cyclopropylmethyl)-1-[(2R)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid
CID 119167769
N-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-naphthalen-2-ylacetamide
CID 60578880
N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 9036546
1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 119289778
2-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide
CID 110349084
1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 119167348
(3R)-N-(cyclopropylmethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidine-3-carboxamide
CID 94202656
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 119409765
N-[3-methyl-1-oxo-1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]butan-2-yl]-2-phenylacetamide
CID 55556885
(3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 95352112
(3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 51937811
1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
CID 43815765

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(cyclopropylmethyl)-1-[(2R)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(cyclopropylmethyl)-1-[(2R)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]piperidine-3-carboxamide (CID 97011311) is (3S)-N-(cyclopropylmethyl)-1-[(2R)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(cyclopropylmethyl)-1-[(2R)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(cyclopropylmethyl)-1-[(2R)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]piperidine-3-carboxamide is CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1.
What is the InChIKey of (3S)-N-(cyclopropylmethyl)-1-[(2R)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]piperidine-3-carboxamide?
The InChIKey is ULJAYSSZDICSKC-UKILVPOCSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-18(2)25(29-24(31)15-20-11-12-21-6-3-4-7-22(21)14-20)27(33)30-13-5-8-23(17-30)26(32)28-16-19-9-10-19/h3-4,6-7,11-12,14,18-19,23,25H,5,8-10,13,15-17H2,1-2H3,(H,28,32)(H,29,31)/t23-,25+/m0/s1.
What are the key properties of (3S)-N-(cyclopropylmethyl)-1-[(2R)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]piperidine-3-carboxamide?
(3S)-N-(cyclopropylmethyl)-1-[(2R)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]piperidine-3-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(cyclopropylmethyl)-1-[(2R)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 97011311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).