N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide

C26H36N2O — CID 142138153

IUPACN-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NC(CCCc2ccccc2)CCCc2ccccc2)C1
InChIInChI=1S/C26H36N2O/c1-28-20-10-17-24(21-28)26(29)27-25(18-8-15-22-11-4-2-5-12-22)19-9-16-23-13-6-3-7-14-23/h2-7,11-14,24-25H,8-10,15-21H2,1H3,(H,27,29)
InChIKeyIHGXMFZOESNUSS-UHFFFAOYSA-N
MW392.59 g/mol
LogP4.86
Rot. Bonds10

About N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide

N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide (PubChem CID 142138153) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide
PubChem CID142138153
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC NameN-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NC(CCCc2ccccc2)CCCc2ccccc2)C1
InChIInChI=1S/C26H36N2O/c1-28-20-10-17-24(21-28)26(29)27-25(18-8-15-22-11-4-2-5-12-22)19-9-16-23-13-6-3-7-14-23/h2-7,11-14,24-25H,8-10,15-21H2,1H3,(H,27,29)
InChIKeyIHGXMFZOESNUSS-UHFFFAOYSA-N
XLogP4.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(1,7-diphenylheptan-4-yl)piperidine-3-carboxamide
CID 142137849
N-benzhydryl-1-methylpiperidine-3-carboxamide
CID 132650365
(3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 99970401
(3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide
CID 124679845
1-but-3-enoyl-N-(1,7-diphenylheptan-4-yl)piperidine-4-carboxamide
CID 18727466
1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132650772
tert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate
CID 59898570
3-(3-fluorophenyl)-2-[(1-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 53215775
N-(1,7-diphenylheptan-4-yl)-1-(piperidine-4-carbonyl)piperidine-2-carboxamide
CID 18727492
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 53216017
tert-butyl 4-(1,7-diphenylheptan-4-ylcarbamoyl)piperidine-1-carboxylate;1,7-diphenylheptan-4-amine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 161413603

Frequently Asked Questions

What is the IUPAC name of N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide?
The IUPAC name of N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide (CID 142138153) is N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide is CN1CCCC(C(=O)NC(CCCc2ccccc2)CCCc2ccccc2)C1.
What is the InChIKey of N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide?
The InChIKey is IHGXMFZOESNUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O/c1-28-20-10-17-24(21-28)26(29)27-25(18-8-15-22-11-4-2-5-12-22)19-9-16-23-13-6-3-7-14-23/h2-7,11-14,24-25H,8-10,15-21H2,1H3,(H,27,29).
What are the key properties of N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide?
N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide has a molecular weight of 392.59 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 142138153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).