N-methyl-1-(2-phenylacetyl)-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide

C24H30N2O2 — CID 60586831

IUPACN-methyl-1-(2-phenylacetyl)-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1cccc(N(C)C(=O)C2CCCN(C(=O)Cc3ccccc3)C2)c1
InChIInChI=1S/C24H30N2O2/c1-18(2)20-11-7-13-22(16-20)25(3)24(28)21-12-8-14-26(17-21)23(27)15-19-9-5-4-6-10-19/h4-7,9-11,13,16,18,21H,8,12,14-15,17H2,1-3H3
InChIKeyPHCIPENMRXCTSE-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.25
Rot. Bonds5

About N-methyl-1-(2-phenylacetyl)-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide

N-methyl-1-(2-phenylacetyl)-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 60586831) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-methyl-1-(2-phenylacetyl)-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-phenylacetyl)-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide
PubChem CID60586831
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-methyl-1-(2-phenylacetyl)-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1cccc(N(C)C(=O)C2CCCN(C(=O)Cc3ccccc3)C2)c1
InChIInChI=1S/C24H30N2O2/c1-18(2)20-11-7-13-22(16-20)25(3)24(28)21-12-8-14-26(17-21)23(27)15-19-9-5-4-6-10-19/h4-7,9-11,13,16,18,21H,8,12,14-15,17H2,1-3H3
InChIKeyPHCIPENMRXCTSE-UHFFFAOYSA-N
XLogP4.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-N-methyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607775
1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55629106
2-[4-[1-(2-phenylacetyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55606843
(3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 95352112
(3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 51939813
(2R)-4-methyl-2-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119363661
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
N-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide
CID 87037742
1-[3-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119520839
(3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 119173861
N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 113006248

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenylacetyl)-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(2-phenylacetyl)-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide (CID 60586831) is N-methyl-1-(2-phenylacetyl)-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(2-phenylacetyl)-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(2-phenylacetyl)-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide is CC(C)c1cccc(N(C)C(=O)C2CCCN(C(=O)Cc3ccccc3)C2)c1.
What is the InChIKey of N-methyl-1-(2-phenylacetyl)-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide?
The InChIKey is PHCIPENMRXCTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-18(2)20-11-7-13-22(16-20)25(3)24(28)21-12-8-14-26(17-21)23(27)15-19-9-5-4-6-10-19/h4-7,9-11,13,16,18,21H,8,12,14-15,17H2,1-3H3.
What are the key properties of N-methyl-1-(2-phenylacetyl)-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide?
N-methyl-1-(2-phenylacetyl)-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenylacetyl)-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 60586831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).