4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide

C18H25ClN2O2 — CID 119462852

IUPAC4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide
SMILESO=C(NCC1CCCNC1)C1(c2ccccc2Cl)CCOCC1
InChIInChI=1S/C18H25ClN2O2/c19-16-6-2-1-5-15(16)18(7-10-23-11-8-18)17(22)21-13-14-4-3-9-20-12-14/h1-2,5-6,14,20H,3-4,7-13H2,(H,21,22)
InChIKeyPGRSJZBMIYVUDS-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.50
Rot. Bonds4

About 4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide

4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide (PubChem CID 119462852) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide
PubChem CID119462852
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide
SMILESO=C(NCC1CCCNC1)C1(c2ccccc2Cl)CCOCC1
InChIInChI=1S/C18H25ClN2O2/c19-16-6-2-1-5-15(16)18(7-10-23-11-8-18)17(22)21-13-14-4-3-9-20-12-14/h1-2,5-6,14,20H,3-4,7-13H2,(H,21,22)
InChIKeyPGRSJZBMIYVUDS-UHFFFAOYSA-N
XLogP2.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)-N-piperidin-3-yloxane-4-carboxamide
CID 119427380
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
4-[[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542025
N-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide
CID 119628865
(2R,8S)-2-(2-chlorophenyl)-N-(oxan-4-ylmethyl)-5-oxo-3,6,7,8-tetrahydro-1H-pyrrolizine-2-carboxamide
CID 146066720
N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide
CID 119615938
2-[2-[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242729
4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide
CID 95322508
1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide
CID 119460551
1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119464480
3-(2-chlorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 119462319

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide (CID 119462852) is 4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide is O=C(NCC1CCCNC1)C1(c2ccccc2Cl)CCOCC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide?
The InChIKey is PGRSJZBMIYVUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c19-16-6-2-1-5-15(16)18(7-10-23-11-8-18)17(22)21-13-14-4-3-9-20-12-14/h1-2,5-6,14,20H,3-4,7-13H2,(H,21,22).
What are the key properties of 4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide?
4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide has a molecular weight of 336.86 g/mol, XLogP of 2.50, 4 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-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 119462852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).