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

C20H26ClN3O2 — CID 97200368

IUPAC[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone
SMILESCCCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2OC)C1
InChIInChI=1S/C20H26ClN3O2/c1-3-4-10-23-12-9-22-19(23)15-6-5-11-24(14-15)20(25)17-8-7-16(21)13-18(17)26-2/h7-9,12-13,15H,3-6,10-11,14H2,1-2H3/t15-/m1/s1
InChIKeyBYHSABDSSXAAEV-OAHLLOKOSA-N
MW375.90 g/mol
LogP4.36
Rot. Bonds6

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

[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone (PubChem CID 97200368) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is [(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone
PubChem CID97200368
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone
SMILESCCCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2OC)C1
InChIInChI=1S/C20H26ClN3O2/c1-3-4-10-23-12-9-22-19(23)15-6-5-11-24(14-15)20(25)17-8-7-16(21)13-18(17)26-2/h7-9,12-13,15H,3-6,10-11,14H2,1-2H3/t15-/m1/s1
InChIKeyBYHSABDSSXAAEV-OAHLLOKOSA-N
XLogP4.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-2-methylphenyl)-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97268879
2-[2-[(3S)-1-(5-chloro-2-methoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276088
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluoro-3-methylphenyl)methanone
CID 72861491
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 72867437
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 97278309
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone
CID 72843426
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 97275870
[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 97268476
3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97284614
2-[2-[1-(4-chloro-2-methylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72878743
(3,4-dimethoxyphenyl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72883629
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(2-chloro-4,5-difluorophenyl)ethanone
CID 97285756

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone?
The IUPAC name of [(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone (CID 97200368) is [(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone.
What is the SMILES notation for [(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone?
The canonical SMILES for [(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone is CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2OC)C1.
What is the InChIKey of [(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone?
The InChIKey is BYHSABDSSXAAEV-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-3-4-10-23-12-9-22-19(23)15-6-5-11-24(14-15)20(25)17-8-7-16(21)13-18(17)26-2/h7-9,12-13,15H,3-6,10-11,14H2,1-2H3/t15-/m1/s1.
What are the key properties of [(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone?
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone has a molecular weight of 375.90 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone is sourced from PubChem (CID 97200368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).