3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide

C18H24N4O2 — CID 136553406

IUPAC3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCCC(c3ncc[nH]3)C2)c1C
InChIInChI=1S/C18H24N4O2/c1-13-14(5-3-7-16(13)24-2)11-21-18(23)22-10-4-6-15(12-22)17-19-8-9-20-17/h3,5,7-9,15H,4,6,10-12H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyDUWCKMODBLDQSM-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.82
Rot. Bonds4

About 3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide

3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide (PubChem CID 136553406) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide
PubChem CID136553406
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCCC(c3ncc[nH]3)C2)c1C
InChIInChI=1S/C18H24N4O2/c1-13-14(5-3-7-16(13)24-2)11-21-18(23)22-10-4-6-15(12-22)17-19-8-9-20-17/h3,5,7-9,15H,4,6,10-12H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyDUWCKMODBLDQSM-UHFFFAOYSA-N
XLogP2.82
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 146123480
(3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97212513
(3S)-3-(1H-imidazol-2-yl)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]piperidine-1-carboxamide
CID 125439102
(3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide
CID 95968600
(3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97319285
(3R)-3-(1H-imidazol-2-yl)-N-[3-(4-methylphenyl)propyl]piperidine-1-carboxamide
CID 126437006
2-(2,3-dimethoxyphenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 70739869
3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide
CID 166188674
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide
CID 95968867
methyl 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]acetate
CID 97319118
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
N-[3-(furan-2-yl)propyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 122562007

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide (CID 136553406) is 3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide is COc1cccc(CNC(=O)N2CCCC(c3ncc[nH]3)C2)c1C.
What is the InChIKey of 3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is DUWCKMODBLDQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-14(5-3-7-16(13)24-2)11-21-18(23)22-10-4-6-15(12-22)17-19-8-9-20-17/h3,5,7-9,15H,4,6,10-12H2,1-2H3,(H,19,20)(H,21,23).
What are the key properties of 3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide?
3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 136553406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).