[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone

C17H21ClN2O3 — CID 38490514

IUPAC[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H21ClN2O3/c18-15-3-1-2-14(12-15)17(22)19-6-4-13(5-7-19)16(21)20-8-10-23-11-9-20/h1-3,12-13H,4-11H2
InChIKeyGSBFOEQDDYACIC-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.05
Rot. Bonds2

About [1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone

[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 38490514) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is [1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID38490514
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H21ClN2O3/c18-15-3-1-2-14(12-15)17(22)19-6-4-13(5-7-19)16(21)20-8-10-23-11-9-20/h1-3,12-13H,4-11H2
InChIKeyGSBFOEQDDYACIC-UHFFFAOYSA-N
XLogP2.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone 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

[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 113003036
4-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673228
[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 51275657
[4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 119032218
[(3aR,8aR)-1-methyl-3a-(morpholine-4-carbonyl)-3,4,5,7,8,8a-hexahydro-2H-pyrrolo[2,3-d]azepin-6-yl]-(3-chlorophenyl)methanone
CID 155901432
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
[4-(3-chlorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703840
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
morpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone
CID 38491442
N-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 43074897

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone (CID 38490514) is [1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone is O=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is GSBFOEQDDYACIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c18-15-3-1-2-14(12-15)17(22)19-6-4-13(5-7-19)16(21)20-8-10-23-11-9-20/h1-3,12-13H,4-11H2.
What are the key properties of [1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone?
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 336.82 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 38490514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).