N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide

C17H21ClN4O2 — CID 146123480

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1CNC(=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C17H21ClN4O2/c1-24-15-5-4-14(18)9-13(15)10-21-17(23)22-8-2-3-12(11-22)16-19-6-7-20-16/h4-7,9,12H,2-3,8,10-11H2,1H3,(H,19,20)(H,21,23)
InChIKeyFSKRAQXPKNIGMR-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.16
Rot. Bonds4

About N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide

N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide (PubChem CID 146123480) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
PubChem CID146123480
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1CNC(=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C17H21ClN4O2/c1-24-15-5-4-14(18)9-13(15)10-21-17(23)22-8-2-3-12(11-22)16-19-6-7-20-16/h4-7,9,12H,2-3,8,10-11H2,1H3,(H,19,20)(H,21,23)
InChIKeyFSKRAQXPKNIGMR-UHFFFAOYSA-N
XLogP3.16
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide
CID 136553406
(3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97212513
(3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97319285
(3S)-3-(1H-imidazol-2-yl)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]piperidine-1-carboxamide
CID 125439102
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-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide
CID 95968600
(3R)-3-(1H-imidazol-2-yl)-N-[3-(4-methylphenyl)propyl]piperidine-1-carboxamide
CID 126437006
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
(3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97318687
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide
CID 95968867
N-[(5-chloro-2-methoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide
CID 78892218

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide (CID 146123480) is N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide is COc1ccc(Cl)cc1CNC(=O)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is FSKRAQXPKNIGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-24-15-5-4-14(18)9-13(15)10-21-17(23)22-8-2-3-12(11-22)16-19-6-7-20-16/h4-7,9,12H,2-3,8,10-11H2,1H3,(H,19,20)(H,21,23).
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 146123480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).