1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide

C23H28N2O2 — CID 56857067

IUPAC1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2ccccc2NC(=O)C2CCCN(CC3CC3)C2)cc1
InChIInChI=1S/C23H28N2O2/c1-27-20-12-10-18(11-13-20)21-6-2-3-7-22(21)24-23(26)19-5-4-14-25(16-19)15-17-8-9-17/h2-3,6-7,10-13,17,19H,4-5,8-9,14-16H2,1H3,(H,24,26)
InChIKeyLGMMDNKCZODUPA-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.42
Rot. Bonds6

About 1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide

1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide (PubChem CID 56857067) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
PubChem CID56857067
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2ccccc2NC(=O)C2CCCN(CC3CC3)C2)cc1
InChIInChI=1S/C23H28N2O2/c1-27-20-12-10-18(11-13-20)21-6-2-3-7-22(21)24-23(26)19-5-4-14-25(16-19)15-17-8-9-17/h2-3,6-7,10-13,17,19H,4-5,8-9,14-16H2,1H3,(H,24,26)
InChIKeyLGMMDNKCZODUPA-UHFFFAOYSA-N
XLogP4.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)phenyl]-1-[(E)-2-methylbut-2-enyl]piperidine-3-carboxamide
CID 45247760
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
N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide
CID 45243690
(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
N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide
CID 45228808
ethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate
CID 8533241
1-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919687
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-1-methylpiperidine-3-carboxamide;hydrochloride
CID 162337803
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide
CID 43930915
(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide
CID 42211902

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide (CID 56857067) is 1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide is COc1ccc(-c2ccccc2NC(=O)C2CCCN(CC3CC3)C2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide?
The InChIKey is LGMMDNKCZODUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-27-20-12-10-18(11-13-20)21-6-2-3-7-22(21)24-23(26)19-5-4-14-25(16-19)15-17-8-9-17/h2-3,6-7,10-13,17,19H,4-5,8-9,14-16H2,1H3,(H,24,26).
What are the key properties of 1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide?
1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 56857067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).