1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide

C23H27N3O3 — CID 136524417

IUPAC1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)C2CCCN(C(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C23H27N3O3/c1-24-21(27)18-12-10-17(11-13-18)15-25(2)22(28)20-9-6-14-26(16-20)23(29)19-7-4-3-5-8-19/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3,(H,24,27)
InChIKeyBBQPRWHHCWLAOR-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.56
Rot. Bonds5

About 1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide

1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 136524417) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID136524417
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)C2CCCN(C(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C23H27N3O3/c1-24-21(27)18-12-10-17(11-13-18)15-25(2)22(28)20-9-6-14-26(16-20)23(29)19-7-4-3-5-8-19/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3,(H,24,27)
InChIKeyBBQPRWHHCWLAOR-UHFFFAOYSA-N
XLogP2.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 55623634
1-benzoyl-N-[(2-hydroxycyclopentyl)methyl]-N-methylpiperidine-3-carboxamide
CID 109399792
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 8967044
(3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 81128292
N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46546153
(3S)-1-(4-fluorobenzoyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)piperidine-3-carboxamide
CID 124507921
N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053389
N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 120648552
[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-2-oxoethyl] (3R)-3-methylpiperidine-1-carbodithioate
CID 8967304
(3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 94406394
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide (CID 136524417) is 1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)C2CCCN(C(=O)c3ccccc3)C2)cc1.
What is the InChIKey of 1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is BBQPRWHHCWLAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-24-21(27)18-12-10-17(11-13-18)15-25(2)22(28)20-9-6-14-26(16-20)23(29)19-7-4-3-5-8-19/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3,(H,24,27).
What are the key properties of 1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide?
1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 136524417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).