5-methyl-N-[3-(methylcarbamoyl)phenyl]-2-phenylpiperidine-1-carboxamide

C21H25N3O2 — CID 138999944

IUPAC5-methyl-N-[3-(methylcarbamoyl)phenyl]-2-phenylpiperidine-1-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CC(C)CCC2c2ccccc2)c1
InChIInChI=1S/C21H25N3O2/c1-15-11-12-19(16-7-4-3-5-8-16)24(14-15)21(26)23-18-10-6-9-17(13-18)20(25)22-2/h3-10,13,15,19H,11-12,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyRBOKANCSFABTFT-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.05
Rot. Bonds3

About 5-methyl-N-[3-(methylcarbamoyl)phenyl]-2-phenylpiperidine-1-carboxamide

5-methyl-N-[3-(methylcarbamoyl)phenyl]-2-phenylpiperidine-1-carboxamide (PubChem CID 138999944) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-methyl-N-[3-(methylcarbamoyl)phenyl]-2-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(methylcarbamoyl)phenyl]-2-phenylpiperidine-1-carboxamide
PubChem CID138999944
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name5-methyl-N-[3-(methylcarbamoyl)phenyl]-2-phenylpiperidine-1-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CC(C)CCC2c2ccccc2)c1
InChIInChI=1S/C21H25N3O2/c1-15-11-12-19(16-7-4-3-5-8-16)24(14-15)21(26)23-18-10-6-9-17(13-18)20(25)22-2/h3-10,13,15,19H,11-12,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyRBOKANCSFABTFT-UHFFFAOYSA-N
XLogP4.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103549959
lithium 2-[(2S,5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetate
CID 164751848
N-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide
CID 164750645
N-methyl-3-[(1-phenylpyrrolidin-3-yl)carbamoylamino]benzamide
CID 56782101
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61192662
2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 177382932
N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 42890543
5-[[2-[(2S,5R)-5-methyl-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164751359
2-[(dimethylamino)methyl]-N-[3-(methylcarbamoyl)phenyl]morpholine-4-carboxamide
CID 154798666
4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 24905400
ethyl 2-(5-methyl-2-phenylpiperidin-1-yl)-2-oxoacetate
CID 164994233

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(methylcarbamoyl)phenyl]-2-phenylpiperidine-1-carboxamide?
The IUPAC name of 5-methyl-N-[3-(methylcarbamoyl)phenyl]-2-phenylpiperidine-1-carboxamide (CID 138999944) is 5-methyl-N-[3-(methylcarbamoyl)phenyl]-2-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(methylcarbamoyl)phenyl]-2-phenylpiperidine-1-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(methylcarbamoyl)phenyl]-2-phenylpiperidine-1-carboxamide is CNC(=O)c1cccc(NC(=O)N2CC(C)CCC2c2ccccc2)c1.
What is the InChIKey of 5-methyl-N-[3-(methylcarbamoyl)phenyl]-2-phenylpiperidine-1-carboxamide?
The InChIKey is RBOKANCSFABTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-11-12-19(16-7-4-3-5-8-16)24(14-15)21(26)23-18-10-6-9-17(13-18)20(25)22-2/h3-10,13,15,19H,11-12,14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 5-methyl-N-[3-(methylcarbamoyl)phenyl]-2-phenylpiperidine-1-carboxamide?
5-methyl-N-[3-(methylcarbamoyl)phenyl]-2-phenylpiperidine-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(methylcarbamoyl)phenyl]-2-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 138999944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).