(3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone

C17H20ClN3O2 — CID 96579758

IUPAC(3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@H](c3nccn3C)C2)cc1Cl
InChIInChI=1S/C17H20ClN3O2/c1-20-9-7-19-16(20)13-4-3-8-21(11-13)17(22)12-5-6-15(23-2)14(18)10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3/t13-/m1/s1
InChIKeyWOOOZOYRTMBFEP-CYBMUJFWSA-N
MW333.82 g/mol
LogP3.10
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone

(3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 96579758) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID96579758
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name(3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@H](c3nccn3C)C2)cc1Cl
InChIInChI=1S/C17H20ClN3O2/c1-20-9-7-19-16(20)13-4-3-8-21(11-13)17(22)12-5-6-15(23-2)14(18)10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3/t13-/m1/s1
InChIKeyWOOOZOYRTMBFEP-CYBMUJFWSA-N
XLogP3.10
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72877246
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 96577616
(2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72840658
(3,4-dimethoxyphenyl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72883629
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone
CID 96579127
(2-methyl-1-benzofuran-5-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72864618
(3-chloro-4-methylphenyl)-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 96577665
N-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 96577296
(3-fluoro-4-methoxyphenyl)-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 95111300
(3-bromo-4-methoxyphenyl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 166229327
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 72867437
(6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 96577008

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone (CID 96579758) is (3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC[C@@H](c3nccn3C)C2)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is WOOOZOYRTMBFEP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-20-9-7-19-16(20)13-4-3-8-21(11-13)17(22)12-5-6-15(23-2)14(18)10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
(3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 333.82 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 96579758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).