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

C18H25ClN2O2 — CID 120573485

IUPAC4-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide
SMILESCC1NCCCC1NC(=O)C1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C18H25ClN2O2/c1-13-16(6-3-9-20-13)21-17(22)18(7-10-23-11-8-18)14-4-2-5-15(19)12-14/h2,4-5,12-13,16,20H,3,6-11H2,1H3,(H,21,22)
InChIKeyWAKBJXORGXCONW-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.64
Rot. Bonds3

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

4-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide (PubChem CID 120573485) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide
PubChem CID120573485
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name4-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide
SMILESCC1NCCCC1NC(=O)C1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C18H25ClN2O2/c1-13-16(6-3-9-20-13)21-17(22)18(7-10-23-11-8-18)14-4-2-5-15(19)12-14/h2,4-5,12-13,16,20H,3,6-11H2,1H3,(H,21,22)
InChIKeyWAKBJXORGXCONW-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
CID 120576461
4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide;hydrochloride
CID 120576460
1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 120573779
N-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 120577312
4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride
CID 119453799
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide
CID 119459119
1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120575377
[4-(3-chlorophenyl)oxan-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 119580343
1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120601700
1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 119509968
[4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563572
4-(3-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]oxane-4-carboxamide
CID 94829023

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide (CID 120573485) is 4-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide is CC1NCCCC1NC(=O)C1(c2cccc(Cl)c2)CCOCC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide?
The InChIKey is WAKBJXORGXCONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-13-16(6-3-9-20-13)21-17(22)18(7-10-23-11-8-18)14-4-2-5-15(19)12-14/h2,4-5,12-13,16,20H,3,6-11H2,1H3,(H,21,22).
What are the key properties of 4-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide?
4-(3-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-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide is sourced from PubChem (CID 120573485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).