4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide

C17H23ClN2O2 — CID 119427380

IUPAC4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide
SMILESO=C(NC1CCCNC1)C1(c2ccccc2Cl)CCOCC1
InChIInChI=1S/C17H23ClN2O2/c18-15-6-2-1-5-14(15)17(7-10-22-11-8-17)16(21)20-13-4-3-9-19-12-13/h1-2,5-6,13,19H,3-4,7-12H2,(H,20,21)
InChIKeySWKDHYCFEXFIHQ-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.26
Rot. Bonds3

About 4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide

4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide (PubChem CID 119427380) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide
PubChem CID119427380
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide
SMILESO=C(NC1CCCNC1)C1(c2ccccc2Cl)CCOCC1
InChIInChI=1S/C17H23ClN2O2/c18-15-6-2-1-5-14(15)17(7-10-22-11-8-17)16(21)20-13-4-3-9-19-12-13/h1-2,5-6,13,19H,3-4,7-12H2,(H,20,21)
InChIKeySWKDHYCFEXFIHQ-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide 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

4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide
CID 119462852
4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide
CID 120576461
4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide;hydrochloride
CID 120576460
1-phenyl-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide
CID 104645396
4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride
CID 119453799
[4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119491517
4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide
CID 95322508
1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 113436699
2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428069
N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide
CID 119615938
(2S)-2-[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]propanoic acid
CID 119238677
4-[[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542025

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide (CID 119427380) is 4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide is O=C(NC1CCCNC1)C1(c2ccccc2Cl)CCOCC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide?
The InChIKey is SWKDHYCFEXFIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-15-6-2-1-5-14(15)17(7-10-22-11-8-17)16(21)20-13-4-3-9-19-12-13/h1-2,5-6,13,19H,3-4,7-12H2,(H,20,21).
What are the key properties of 4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide?
4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide is sourced from PubChem (CID 119427380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).