(3-chloro-4,5-dimethoxyphenyl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone

C17H20ClN3O3 — CID 95314255

IUPAC(3-chloro-4,5-dimethoxyphenyl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCC[C@@H](n3ccnc3)C2)cc(Cl)c1OC
InChIInChI=1S/C17H20ClN3O3/c1-23-15-9-12(8-14(18)16(15)24-2)17(22)20-6-3-4-13(10-20)21-7-5-19-11-21/h5,7-9,11,13H,3-4,6,10H2,1-2H3/t13-/m1/s1
InChIKeyPHEIEEHAAUAOKW-CYBMUJFWSA-N
MW349.82 g/mol
LogP3.03
Rot. Bonds4

About (3-chloro-4,5-dimethoxyphenyl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone

(3-chloro-4,5-dimethoxyphenyl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone (PubChem CID 95314255) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is (3-chloro-4,5-dimethoxyphenyl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4,5-dimethoxyphenyl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
PubChem CID95314255
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name(3-chloro-4,5-dimethoxyphenyl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCC[C@@H](n3ccnc3)C2)cc(Cl)c1OC
InChIInChI=1S/C17H20ClN3O3/c1-23-15-9-12(8-14(18)16(15)24-2)17(22)20-6-3-4-13(10-20)21-7-5-19-11-21/h5,7-9,11,13H,3-4,6,10H2,1-2H3/t13-/m1/s1
InChIKeyPHEIEEHAAUAOKW-CYBMUJFWSA-N
XLogP3.03
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-chloro-4,5-dimethoxyphenyl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone with MolForge

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Related Compounds

ethyl (3R)-1-(3-chloro-4,5-dimethoxybenzoyl)piperidine-3-carboxylate
CID 30880442
(2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95341019
3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide
CID 95569094
[(3R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-chloro-4,5-dimethoxyphenyl)methanone
CID 124840112
2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312405
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 95340983
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 95313622
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 95340950
2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95313849
(3-chloro-4,5-dimethoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957621
(3S)-1-[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]piperidine-3-carboxylic acid
CID 119113443
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 95309511

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone?
The IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone (CID 95314255) is (3-chloro-4,5-dimethoxyphenyl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4,5-dimethoxyphenyl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4,5-dimethoxyphenyl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone is COc1cc(C(=O)N2CCC[C@@H](n3ccnc3)C2)cc(Cl)c1OC.
What is the InChIKey of (3-chloro-4,5-dimethoxyphenyl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone?
The InChIKey is PHEIEEHAAUAOKW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-23-15-9-12(8-14(18)16(15)24-2)17(22)20-6-3-4-13(10-20)21-7-5-19-11-21/h5,7-9,11,13H,3-4,6,10H2,1-2H3/t13-/m1/s1.
What are the key properties of (3-chloro-4,5-dimethoxyphenyl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone?
(3-chloro-4,5-dimethoxyphenyl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone has a molecular weight of 349.82 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4,5-dimethoxyphenyl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95314255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).