1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide

C23H29N3O2 — CID 136579023

IUPAC1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCNC(=O)c1ccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-2-24-22(27)20-10-8-18(9-11-20)16-25-23(28)21-12-14-26(15-13-21)17-19-6-4-3-5-7-19/h3-11,21H,2,12-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyVIOOAFBRKNVBBZ-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.96
Rot. Bonds7

About 1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide

1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 136579023) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID136579023
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCNC(=O)c1ccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-2-24-22(27)20-10-8-18(9-11-20)16-25-23(28)21-12-14-26(15-13-21)17-19-6-4-3-5-7-19/h3-11,21H,2,12-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyVIOOAFBRKNVBBZ-UHFFFAOYSA-N
XLogP2.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate
CID 27107110
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
N-benzyl-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 26653391
1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 46774277
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
1-[(1-benzylpiperidine-4-carbonyl)amino]-3-ethylthiourea
CID 3806020
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 136579030
N-benzyl-1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 26653754
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 17388879

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide (CID 136579023) is 1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide is CCNC(=O)c1ccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is VIOOAFBRKNVBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-2-24-22(27)20-10-8-18(9-11-20)16-25-23(28)21-12-14-26(15-13-21)17-19-6-4-3-5-7-19/h3-11,21H,2,12-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 136579023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).