1-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxo-8-phenyloctan-2-yl]piperidine-3-carboxamide

C31H37N3O3 — CID 69319082

IUPAC1-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxo-8-phenyloctan-2-yl]piperidine-3-carboxamide
SMILESCN1CCCC(C(=O)N[C@@H](CCCCCC(=O)c2ccccc2)C(=O)Nc2ccc3ccccc3c2)C1
InChIInChI=1S/C31H37N3O3/c1-34-20-10-15-26(22-34)30(36)33-28(16-6-3-7-17-29(35)24-12-4-2-5-13-24)31(37)32-27-19-18-23-11-8-9-14-25(23)21-27/h2,4-5,8-9,11-14,18-19,21,26,28H,3,6-7,10,15-17,20,22H2,1H3,(H,32,37)(H,33,36)/t26?,28-/m0/s1
InChIKeyCQIPSNMWUDVCCF-RXBHZZDJSA-N
MW499.66 g/mol
LogP5.44
Rot. Bonds11

About 1-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxo-8-phenyloctan-2-yl]piperidine-3-carboxamide

1-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxo-8-phenyloctan-2-yl]piperidine-3-carboxamide (PubChem CID 69319082) has the molecular formula C31H37N3O3 and a molecular weight of 499.66 g/mol. Its IUPAC name is 1-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxo-8-phenyloctan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxo-8-phenyloctan-2-yl]piperidine-3-carboxamide
PubChem CID69319082
Molecular FormulaC31H37N3O3
Molecular Weight499.66 g/mol
Exact Mass499.28
IUPAC Name1-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxo-8-phenyloctan-2-yl]piperidine-3-carboxamide
SMILESCN1CCCC(C(=O)N[C@@H](CCCCCC(=O)c2ccccc2)C(=O)Nc2ccc3ccccc3c2)C1
InChIInChI=1S/C31H37N3O3/c1-34-20-10-15-26(22-34)30(36)33-28(16-6-3-7-17-29(35)24-12-4-2-5-13-24)31(37)32-27-19-18-23-11-8-9-14-25(23)21-27/h2,4-5,8-9,11-14,18-19,21,26,28H,3,6-7,10,15-17,20,22H2,1H3,(H,32,37)(H,33,36)/t26?,28-/m0/s1
InChIKeyCQIPSNMWUDVCCF-RXBHZZDJSA-N
XLogP5.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.66
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide
CID 23557292
(2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide
CID 69322278
N-benzhydryl-1-methylpiperidine-3-carboxamide
CID 132650365
5-[[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexane-1,3-dicarboxylic acid
CID 11294736
(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 95194931
N-[(2S)-1-(3,5-dichloroanilino)-1,8-dioxononan-2-yl]-1-methylpiperidine-4-carboxamide
CID 69319223
N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide
CID 142138153
(3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 99970401
4-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxo-9-phenylnonan-2-yl]thiadiazole-5-carboxamide
CID 69319752
7-methyl-1-naphthalen-2-ylnonane-1,8-dione
CID 59908425
N-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43919649
N-[4-methyl-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 3024355

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxo-8-phenyloctan-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxo-8-phenyloctan-2-yl]piperidine-3-carboxamide (CID 69319082) is 1-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxo-8-phenyloctan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxo-8-phenyloctan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxo-8-phenyloctan-2-yl]piperidine-3-carboxamide is CN1CCCC(C(=O)N[C@@H](CCCCCC(=O)c2ccccc2)C(=O)Nc2ccc3ccccc3c2)C1.
What is the InChIKey of 1-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxo-8-phenyloctan-2-yl]piperidine-3-carboxamide?
The InChIKey is CQIPSNMWUDVCCF-RXBHZZDJSA-N. The full InChI is InChI=1S/C31H37N3O3/c1-34-20-10-15-26(22-34)30(36)33-28(16-6-3-7-17-29(35)24-12-4-2-5-13-24)31(37)32-27-19-18-23-11-8-9-14-25(23)21-27/h2,4-5,8-9,11-14,18-19,21,26,28H,3,6-7,10,15-17,20,22H2,1H3,(H,32,37)(H,33,36)/t26?,28-/m0/s1.
What are the key properties of 1-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxo-8-phenyloctan-2-yl]piperidine-3-carboxamide?
1-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxo-8-phenyloctan-2-yl]piperidine-3-carboxamide has a molecular weight of 499.66 g/mol, XLogP of 5.44, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxo-8-phenyloctan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 69319082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).