1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide

C21H31N3O2 — CID 43815765

IUPAC1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCC1CCCCC1)C1CCCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C21H31N3O2/c25-20(22-14-17-8-3-1-4-9-17)19-12-7-13-24(16-19)21(26)23-15-18-10-5-2-6-11-18/h2,5-6,10-11,17,19H,1,3-4,7-9,12-16H2,(H,22,25)(H,23,26)
InChIKeyBNTYSQRAULVJJE-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.30
Rot. Bonds5

About 1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide

1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide (PubChem CID 43815765) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
PubChem CID43815765
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCC1CCCCC1)C1CCCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C21H31N3O2/c25-20(22-14-17-8-3-1-4-9-17)19-12-7-13-24(16-19)21(26)23-15-18-10-5-2-6-11-18/h2,5-6,10-11,17,19H,1,3-4,7-9,12-16H2,(H,22,25)(H,23,26)
InChIKeyBNTYSQRAULVJJE-UHFFFAOYSA-N
XLogP3.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
N-benzylazonane-1-carboxamide
CID 130689649
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 119289778
1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 55652415
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
(3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide
CID 7435314
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692
4-[[[3-(benzamidomethyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020331
N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 86909124
N-benzylcyclopentanecarboxamide
CID 835634
(3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide
CID 95710656

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide (CID 43815765) is 1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide is O=C(NCC1CCCCC1)C1CCCN(C(=O)NCc2ccccc2)C1.
What is the InChIKey of 1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide?
The InChIKey is BNTYSQRAULVJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-20(22-14-17-8-3-1-4-9-17)19-12-7-13-24(16-19)21(26)23-15-18-10-5-2-6-11-18/h2,5-6,10-11,17,19H,1,3-4,7-9,12-16H2,(H,22,25)(H,23,26).
What are the key properties of 1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide?
1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 43815765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).