(3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide

C24H28N4O2 — CID 42596442

IUPAC(3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(Cc3cnc(C)[nH]3)C2)cc1
InChIInChI=1S/C24H28N4O2/c1-17-25-14-20(26-17)16-28-13-5-6-19(15-28)24(29)27-23-8-4-3-7-22(23)18-9-11-21(30-2)12-10-18/h3-4,7-12,14,19H,5-6,13,15-16H2,1-2H3,(H,25,26)(H,27,29)/t19-/m0/s1
InChIKeyKFEVVEDGULOEOQ-IBGZPJMESA-N
MW404.51 g/mol
LogP4.24
Rot. Bonds6

About (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide

(3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 42596442) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID42596442
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name(3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(Cc3cnc(C)[nH]3)C2)cc1
InChIInChI=1S/C24H28N4O2/c1-17-25-14-20(26-17)16-28-13-5-6-19(15-28)24(29)27-23-8-4-3-7-22(23)18-9-11-21(30-2)12-10-18/h3-4,7-12,14,19H,5-6,13,15-16H2,1-2H3,(H,25,26)(H,27,29)/t19-/m0/s1
InChIKeyKFEVVEDGULOEOQ-IBGZPJMESA-N
XLogP4.24
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 45186640
1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 56857067
1-[(3,5-difluorophenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 45169697
N-[2-(4-methoxyphenyl)phenyl]-1-[(E)-2-methylbut-2-enyl]piperidine-3-carboxamide
CID 45247760
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
N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide
CID 45243690
1-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919687
(2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 25286689
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
CID 45215558
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide
CID 43930915
N-(2,6-diethylphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930862

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide (CID 42596442) is (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide is COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(Cc3cnc(C)[nH]3)C2)cc1.
What is the InChIKey of (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is KFEVVEDGULOEOQ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-25-14-20(26-17)16-28-13-5-6-19(15-28)24(29)27-23-8-4-3-7-22(23)18-9-11-21(30-2)12-10-18/h3-4,7-12,14,19H,5-6,13,15-16H2,1-2H3,(H,25,26)(H,27,29)/t19-/m0/s1.
What are the key properties of (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide?
(3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 42596442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).