(4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide

C18H22N4O2 — CID 94036187

IUPAC(4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CC[C@H](C(=O)NCc2ccc(Cn3ccnc3)cc2)CC1=O
InChIInChI=1S/C18H22N4O2/c1-21-8-6-16(10-17(21)23)18(24)20-11-14-2-4-15(5-3-14)12-22-9-7-19-13-22/h2-5,7,9,13,16H,6,8,10-12H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyFXPBXYMTEDJGAV-INIZCTEOSA-N
MW326.40 g/mol
LogP1.42
Rot. Bonds5

About (4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide

(4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide (PubChem CID 94036187) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
PubChem CID94036187
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CC[C@H](C(=O)NCc2ccc(Cn3ccnc3)cc2)CC1=O
InChIInChI=1S/C18H22N4O2/c1-21-8-6-16(10-17(21)23)18(24)20-11-14-2-4-15(5-3-14)12-22-9-7-19-13-22/h2-5,7,9,13,16H,6,8,10-12H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyFXPBXYMTEDJGAV-INIZCTEOSA-N
XLogP1.42
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94144419
(7S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97325838
1-[(3,4-dichlorophenyl)methyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917712
3-amino-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119838606
N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 136578895
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034995
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 37423671
(2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide
CID 96509471
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036
N-[(3-chloro-4-methylsulfonylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 136536148
(3R)-1-(4-fluorophenyl)sulfonyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 35859361
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43917361

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The IUPAC name of (4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide (CID 94036187) is (4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The canonical SMILES for (4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide is CN1CC[C@H](C(=O)NCc2ccc(Cn3ccnc3)cc2)CC1=O.
What is the InChIKey of (4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The InChIKey is FXPBXYMTEDJGAV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21-8-6-16(10-17(21)23)18(24)20-11-14-2-4-15(5-3-14)12-22-9-7-19-13-22/h2-5,7,9,13,16H,6,8,10-12H2,1H3,(H,20,24)/t16-/m0/s1.
What are the key properties of (4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide?
(4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 94036187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).