N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide

C24H32N2O2 — CID 45243690

IUPACN-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide
SMILESCCC(CC)N1CCCC(C(=O)Nc2ccccc2-c2ccc(OC)cc2)C1
InChIInChI=1S/C24H32N2O2/c1-4-20(5-2)26-16-8-9-19(17-26)24(27)25-23-11-7-6-10-22(23)18-12-14-21(28-3)15-13-18/h6-7,10-15,19-20H,4-5,8-9,16-17H2,1-3H3,(H,25,27)
InChIKeyPIQBFBODJKOJST-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.20
Rot. Bonds7

About N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide

N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide (PubChem CID 45243690) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide
PubChem CID45243690
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide
SMILESCCC(CC)N1CCCC(C(=O)Nc2ccccc2-c2ccc(OC)cc2)C1
InChIInChI=1S/C24H32N2O2/c1-4-20(5-2)26-16-8-9-19(17-26)24(27)25-23-11-7-6-10-22(23)18-12-14-21(28-3)15-13-18/h6-7,10-15,19-20H,4-5,8-9,16-17H2,1-3H3,(H,25,27)
InChIKeyPIQBFBODJKOJST-UHFFFAOYSA-N
XLogP5.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 56857067
N-[2-(4-methoxyphenyl)phenyl]-1-[(E)-2-methylbut-2-enyl]piperidine-3-carboxamide
CID 45247760
N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide
CID 45228808
1-[(3,5-difluorophenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 45169697
N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 45186640
(3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide
CID 42596442
1-[(3-chloro-4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 45184860
(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide
CID 42211902
2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[2-(4-methoxyphenyl)phenyl]acetamide
CID 67042246
(2S)-N-[2-(4-methoxyphenyl)phenyl]-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 42515952
N-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide
CID 45192068
(2R)-1-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
CID 42362496

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide (CID 45243690) is N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide is CCC(CC)N1CCCC(C(=O)Nc2ccccc2-c2ccc(OC)cc2)C1.
What is the InChIKey of N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide?
The InChIKey is PIQBFBODJKOJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-4-20(5-2)26-16-8-9-19(17-26)24(27)25-23-11-7-6-10-22(23)18-12-14-21(28-3)15-13-18/h6-7,10-15,19-20H,4-5,8-9,16-17H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide?
N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide has a molecular weight of 380.53 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide is sourced from PubChem (CID 45243690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).