(3-methylcyclohexyl) 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxylate

C21H28ClNO4 — CID 78861590

IUPAC(3-methylcyclohexyl) 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxylate
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)OC2CCCC(C)C2)CC1
InChIInChI=1S/C21H28ClNO4/c1-14-4-3-5-17(12-14)27-21(25)15-8-10-23(11-9-15)20(24)18-13-16(22)6-7-19(18)26-2/h6-7,13-15,17H,3-5,8-12H2,1-2H3
InChIKeyQKVGWLNENISULZ-UHFFFAOYSA-N
MW393.91 g/mol
LogP4.32
Rot. Bonds4

About (3-methylcyclohexyl) 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxylate

(3-methylcyclohexyl) 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxylate (PubChem CID 78861590) has the molecular formula C21H28ClNO4 and a molecular weight of 393.91 g/mol. Its IUPAC name is (3-methylcyclohexyl) 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(3-methylcyclohexyl) 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxylate
PubChem CID78861590
Molecular FormulaC21H28ClNO4
Molecular Weight393.91 g/mol
Exact Mass393.17
IUPAC Name(3-methylcyclohexyl) 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxylate
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)OC2CCCC(C)C2)CC1
InChIInChI=1S/C21H28ClNO4/c1-14-4-3-5-17(12-14)27-21(25)15-8-10-23(11-9-15)20(24)18-13-16(22)6-7-19(18)26-2/h6-7,13-15,17H,3-5,8-12H2,1-2H3
InChIKeyQKVGWLNENISULZ-UHFFFAOYSA-N
XLogP4.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.91
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 2904490
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56551226
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 30102559
1-(5-chloro-2-methoxybenzoyl)-N-cyclopropyl-N-methylpiperidine-4-carboxamide
CID 55627034
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile
CID 49064321
1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788299
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55622870

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl) 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxylate?
The IUPAC name of (3-methylcyclohexyl) 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxylate (CID 78861590) is (3-methylcyclohexyl) 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for (3-methylcyclohexyl) 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxylate?
The canonical SMILES for (3-methylcyclohexyl) 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxylate is COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)OC2CCCC(C)C2)CC1.
What is the InChIKey of (3-methylcyclohexyl) 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxylate?
The InChIKey is QKVGWLNENISULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClNO4/c1-14-4-3-5-17(12-14)27-21(25)15-8-10-23(11-9-15)20(24)18-13-16(22)6-7-19(18)26-2/h6-7,13-15,17H,3-5,8-12H2,1-2H3.
What are the key properties of (3-methylcyclohexyl) 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxylate?
(3-methylcyclohexyl) 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxylate has a molecular weight of 393.91 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl) 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 78861590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).