2-(2-chlorophenyl)-2-methyl-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one

C20H26ClN3O — CID 126782840

IUPAC2-(2-chlorophenyl)-2-methyl-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCn1ccnc1CC1CCCN(C(=O)C(C)(C)c2ccccc2Cl)C1
InChIInChI=1S/C20H26ClN3O/c1-20(2,16-8-4-5-9-17(16)21)19(25)24-11-6-7-15(14-24)13-18-22-10-12-23(18)3/h4-5,8-10,12,15H,6-7,11,13-14H2,1-3H3
InChIKeyTXUHVMKOURGLHL-UHFFFAOYSA-N
MW359.90 g/mol
LogP3.83
Rot. Bonds4

About 2-(2-chlorophenyl)-2-methyl-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one

2-(2-chlorophenyl)-2-methyl-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 126782840) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-methyl-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-methyl-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID126782840
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC Name2-(2-chlorophenyl)-2-methyl-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCn1ccnc1CC1CCCN(C(=O)C(C)(C)c2ccccc2Cl)C1
InChIInChI=1S/C20H26ClN3O/c1-20(2,16-8-4-5-9-17(16)21)19(25)24-11-6-7-15(14-24)13-18-22-10-12-23(18)3/h4-5,8-10,12,15H,6-7,11,13-14H2,1-3H3
InChIKeyTXUHVMKOURGLHL-UHFFFAOYSA-N
XLogP3.83
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)-2-methyl-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

(2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 120992898
[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 71847443
(3S)-3-[(1-methylimidazol-2-yl)methyl]-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 124588257
1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-pyrimidin-4-ylpropan-1-one
CID 126776469
(3R)-N-(2,3-dihydro-1H-inden-5-yl)-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 97075864
[2-(4-fluorophenyl)cyclopropyl]-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 71915908
2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone
CID 110269320
3-methoxy-1-[(3S)-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 95843170
(3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 97099007
1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86771066
2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 97072837
methyl (2S)-2-(2-fluorophenyl)-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetate
CID 97101368

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-methyl-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(2-chlorophenyl)-2-methyl-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one (CID 126782840) is 2-(2-chlorophenyl)-2-methyl-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2-chlorophenyl)-2-methyl-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(2-chlorophenyl)-2-methyl-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one is Cn1ccnc1CC1CCCN(C(=O)C(C)(C)c2ccccc2Cl)C1.
What is the InChIKey of 2-(2-chlorophenyl)-2-methyl-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is TXUHVMKOURGLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O/c1-20(2,16-8-4-5-9-17(16)21)19(25)24-11-6-7-15(14-24)13-18-22-10-12-23(18)3/h4-5,8-10,12,15H,6-7,11,13-14H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-2-methyl-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one?
2-(2-chlorophenyl)-2-methyl-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 359.90 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-methyl-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126782840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).