N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide

C23H28N2O2 — CID 110232458

IUPACN-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(Cc2ccc(-c3ccccc3)cc2)(C(=O)NC)C1
InChIInChI=1S/C23H28N2O2/c1-3-21(26)25-15-7-14-23(17-25,22(27)24-2)16-18-10-12-20(13-11-18)19-8-5-4-6-9-19/h4-6,8-13H,3,7,14-17H2,1-2H3,(H,24,27)
InChIKeyIYILDNMNARCTPX-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.66
Rot. Bonds5

About N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide

N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 110232458) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID110232458
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(Cc2ccc(-c3ccccc3)cc2)(C(=O)NC)C1
InChIInChI=1S/C23H28N2O2/c1-3-21(26)25-15-7-14-23(17-25,22(27)24-2)16-18-10-12-20(13-11-18)19-8-5-4-6-9-19/h4-6,8-13H,3,7,14-17H2,1-2H3,(H,24,27)
InChIKeyIYILDNMNARCTPX-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-methyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 95850995
(3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 92585094
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 92585095
(3S)-3-[(4-phenylphenyl)methyl]-1-propanoyl-N-prop-2-enylpiperidine-3-carboxamide
CID 92585106
(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585101
N-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 110243848
(3R)-N-methyl-1-(3-phenylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609385
(3R)-N-methyl-1-(2-phenoxyacetyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609411
(3R)-N-methyl-1-propanoyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92584962
(3S)-1-(2-methoxyacetyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 92579626
(3S)-1-butanoyl-N-methyl-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586365
3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide
CID 110232546

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide (CID 110232458) is N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(Cc2ccc(-c3ccccc3)cc2)(C(=O)NC)C1.
What is the InChIKey of N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is IYILDNMNARCTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-21(26)25-15-7-14-23(17-25,22(27)24-2)16-18-10-12-20(13-11-18)19-8-5-4-6-9-19/h4-6,8-13H,3,7,14-17H2,1-2H3,(H,24,27).
What are the key properties of N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide?
N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 110232458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).