N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide

C18H23ClN4O2 — CID 71781145

IUPACN-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCC(Cn2ccnc2C)CC1
InChIInChI=1S/C18H23ClN4O2/c1-13-20-7-10-23(13)12-14-5-8-22(9-6-14)18(24)21-16-11-15(19)3-4-17(16)25-2/h3-4,7,10-11,14H,5-6,8-9,12H2,1-2H3,(H,21,24)
InChIKeyXMEGZCKHPLSASH-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.80
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide

N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 71781145) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
PubChem CID71781145
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCC(Cn2ccnc2C)CC1
InChIInChI=1S/C18H23ClN4O2/c1-13-20-7-10-23(13)12-14-5-8-22(9-6-14)18(24)21-16-11-15(19)3-4-17(16)25-2/h3-4,7,10-11,14H,5-6,8-9,12H2,1-2H3,(H,21,24)
InChIKeyXMEGZCKHPLSASH-UHFFFAOYSA-N
XLogP3.80
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide
CID 121091740
4-(benzimidazol-1-ylmethyl)-N-(5-chloro-2-methoxyphenyl)piperidine-1-carboxamide;oxalic acid
CID 71780969
N-(2,5-dimethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494656
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
(5-chloro-2-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493407
N-(2-methoxy-5-methylphenyl)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
CID 136512978
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
(3R)-N-(5-chloro-2-methoxyphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 99747517
N-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637156
N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494071
(3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 97435778
N-(5-chloro-2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108510

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide (CID 71781145) is N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CCC(Cn2ccnc2C)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is XMEGZCKHPLSASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-13-20-7-10-23(13)12-14-5-8-22(9-6-14)18(24)21-16-11-15(19)3-4-17(16)25-2/h3-4,7,10-11,14H,5-6,8-9,12H2,1-2H3,(H,21,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide?
N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71781145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).