N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide

C25H30N4O — CID 43917325

IUPACN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CN1CCCC(C(=O)NCc2cccc(Cn3ccnc3)c2)C1
InChIInChI=1S/C25H30N4O/c1-20-6-2-3-9-23(20)17-28-12-5-10-24(18-28)25(30)27-15-21-7-4-8-22(14-21)16-29-13-11-26-19-29/h2-4,6-9,11,13-14,19,24H,5,10,12,15-18H2,1H3,(H,27,30)
InChIKeyINJCAJKFEJLMKH-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.77
Rot. Bonds7

About N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide

N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43917325) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID43917325
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CN1CCCC(C(=O)NCc2cccc(Cn3ccnc3)c2)C1
InChIInChI=1S/C25H30N4O/c1-20-6-2-3-9-23(20)17-28-12-5-10-24(18-28)25(30)27-15-21-7-4-8-22(14-21)16-29-13-11-26-19-29/h2-4,6-9,11,13-14,19,24H,5,10,12,15-18H2,1H3,(H,27,30)
InChIKeyINJCAJKFEJLMKH-UHFFFAOYSA-N
XLogP3.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917523
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43917361
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929842
N-(3-imidazol-1-ylpropyl)-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925978
1-(2,2-dimethylpropanoyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 47998553
N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924153
1-[(2-methylphenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917314
(4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94144419
1-[(3-bromophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide
CID 43925987
1-[(2,6-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917470
1-(3,5-dimethylbenzoyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55788639
1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 43921898

Frequently Asked Questions

What is the IUPAC name of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide (CID 43917325) is N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccccc1CN1CCCC(C(=O)NCc2cccc(Cn3ccnc3)c2)C1.
What is the InChIKey of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is INJCAJKFEJLMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-20-6-2-3-9-23(20)17-28-12-5-10-24(18-28)25(30)27-15-21-7-4-8-22(14-21)16-29-13-11-26-19-29/h2-4,6-9,11,13-14,19,24H,5,10,12,15-18H2,1H3,(H,27,30).
What are the key properties of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43917325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).