4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide

C18H25ClN2O2 — CID 120576461

IUPAC4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide
SMILESCC1NCCCC1NC(=O)C1(c2ccccc2Cl)CCOCC1
InChIInChI=1S/C18H25ClN2O2/c1-13-16(7-4-10-20-13)21-17(22)18(8-11-23-12-9-18)14-5-2-3-6-15(14)19/h2-3,5-6,13,16,20H,4,7-12H2,1H3,(H,21,22)
InChIKeyYBNPEOBQUZJDPC-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.64
Rot. Bonds3

About 4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide

4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide (PubChem CID 120576461) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide
PubChem CID120576461
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide
SMILESCC1NCCCC1NC(=O)C1(c2ccccc2Cl)CCOCC1
InChIInChI=1S/C18H25ClN2O2/c1-13-16(7-4-10-20-13)21-17(22)18(8-11-23-12-9-18)14-5-2-3-6-15(14)19/h2-3,5-6,13,16,20H,4,7-12H2,1H3,(H,21,22)
InChIKeyYBNPEOBQUZJDPC-UHFFFAOYSA-N
XLogP2.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide;hydrochloride
CID 120576460
4-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide
CID 120573485
4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide
CID 119427380
N-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 120577312
1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 120573779
4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide
CID 119462852
1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120575377
N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide
CID 119615938
3-chloro-2-methyl-N-(2-methylpiperidin-3-yl)benzamide
CID 107098369
(2S)-2-[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]propanoic acid
CID 119238677
4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide
CID 95322508
N-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide
CID 119628865

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide (CID 120576461) is 4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide is CC1NCCCC1NC(=O)C1(c2ccccc2Cl)CCOCC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide?
The InChIKey is YBNPEOBQUZJDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-13-16(7-4-10-20-13)21-17(22)18(8-11-23-12-9-18)14-5-2-3-6-15(14)19/h2-3,5-6,13,16,20H,4,7-12H2,1H3,(H,21,22).
What are the key properties of 4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide?
4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide has a molecular weight of 336.86 g/mol, XLogP of 2.64, 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-(2-methylpiperidin-3-yl)oxane-4-carboxamide is sourced from PubChem (CID 120576461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).