[1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone

C20H27ClN2O2 — CID 17223347

IUPAC[1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C20H27ClN2O2/c1-2-16-7-5-6-12-23(16)19(24)15-10-13-22(14-11-15)20(25)17-8-3-4-9-18(17)21/h3-4,8-9,15-16H,2,5-7,10-14H2,1H3
InChIKeyLJNJKUQFTYSOTR-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.98
Rot. Bonds3

About [1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone

[1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 17223347) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is [1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID17223347
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name[1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C20H27ClN2O2/c1-2-16-7-5-6-12-23(16)19(24)15-10-13-22(14-11-15)20(25)17-8-3-4-9-18(17)21/h3-4,8-9,15-16H,2,5-7,10-14H2,1H3
InChIKeyLJNJKUQFTYSOTR-UHFFFAOYSA-N
XLogP3.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-ethylpiperidin-1-yl)-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]methanone
CID 113005782
[(2R)-2-ethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27244606
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 17223445
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopentylmethanone
CID 110797839
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 113005746
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113005765
[2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63394055

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (CID 17223347) is [1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)C1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of [1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is LJNJKUQFTYSOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c1-2-16-7-5-6-12-23(16)19(24)15-10-13-22(14-11-15)20(25)17-8-3-4-9-18(17)21/h3-4,8-9,15-16H,2,5-7,10-14H2,1H3.
What are the key properties of [1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
[1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 362.90 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 17223347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).