(4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide

C18H22N4O2 — CID 94144419

IUPAC(4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CC[C@@H](C(=O)NCc2cccc(Cn3ccnc3)c2)CC1=O
InChIInChI=1S/C18H22N4O2/c1-21-7-5-16(10-17(21)23)18(24)20-11-14-3-2-4-15(9-14)12-22-8-6-19-13-22/h2-4,6,8-9,13,16H,5,7,10-12H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyXYELKAYUBVJGNH-MRXNPFEDSA-N
MW326.40 g/mol
LogP1.42
Rot. Bonds5

About (4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide

(4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide (PubChem CID 94144419) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
PubChem CID94144419
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CC[C@@H](C(=O)NCc2cccc(Cn3ccnc3)c2)CC1=O
InChIInChI=1S/C18H22N4O2/c1-21-7-5-16(10-17(21)23)18(24)20-11-14-3-2-4-15(9-14)12-22-8-6-19-13-22/h2-4,6,8-9,13,16H,5,7,10-12H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyXYELKAYUBVJGNH-MRXNPFEDSA-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

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Related Compounds

(4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94036187
1-(2,2-dimethylpropanoyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 47998553
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43917361
N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 136578895
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43917325
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87033969
1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 86831480
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918111
1-[(2-fluorophenyl)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917523
4-(imidazol-1-ylmethyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 43918158
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51079368
trans-(1S,2S)-2-(4-fluorophenyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 94144410

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The IUPAC name of (4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide (CID 94144419) is (4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The canonical SMILES for (4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide is CN1CC[C@@H](C(=O)NCc2cccc(Cn3ccnc3)c2)CC1=O.
What is the InChIKey of (4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The InChIKey is XYELKAYUBVJGNH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21-7-5-16(10-17(21)23)18(24)20-11-14-3-2-4-15(9-14)12-22-8-6-19-13-22/h2-4,6,8-9,13,16H,5,7,10-12H2,1H3,(H,20,24)/t16-/m1/s1.
What are the key properties of (4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide?
(4R)-N-[[3-(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 (4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 94144419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).