N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide

C19H24N4O3 — CID 119061153

IUPACN-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC(C(=O)c3nccn3C)C2)cc1
InChIInChI=1S/C19H24N4O3/c1-22-11-9-20-18(22)17(24)15-4-3-10-23(13-15)19(25)21-12-14-5-7-16(26-2)8-6-14/h5-9,11,15H,3-4,10,12-13H2,1-2H3,(H,21,25)
InChIKeyDTZXUZPAEFAJQA-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.23
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide

N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide (PubChem CID 119061153) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
PubChem CID119061153
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC(C(=O)c3nccn3C)C2)cc1
InChIInChI=1S/C19H24N4O3/c1-22-11-9-20-18(22)17(24)15-4-3-10-23(13-15)19(25)21-12-14-5-7-16(26-2)8-6-14/h5-9,11,15H,3-4,10,12-13H2,1-2H3,(H,21,25)
InChIKeyDTZXUZPAEFAJQA-UHFFFAOYSA-N
XLogP2.23
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126453049
(3S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126447086
(3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126424079
(3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide
CID 95710656
(3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126429422
3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 70756726
(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 51508259
N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261595
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 70736283
(1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 171914388
3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 122258593
(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81119248

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide (CID 119061153) is N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCCC(C(=O)c3nccn3C)C2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide?
The InChIKey is DTZXUZPAEFAJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22-11-9-20-18(22)17(24)15-4-3-10-23(13-15)19(25)21-12-14-5-7-16(26-2)8-6-14/h5-9,11,15H,3-4,10,12-13H2,1-2H3,(H,21,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide?
N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 119061153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).