2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride

C18H27ClN2O2 — CID 119461036

IUPAC2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)C1CCCOC1c1ccccc1
InChIInChI=1S/C18H26N2O2.ClH/c21-18(20-13-14-6-4-10-19-12-14)16-9-5-11-22-17(16)15-7-2-1-3-8-15;/h1-3,7-8,14,16-17,19H,4-6,9-13H2,(H,20,21);1H
InChIKeyZVPXXCGBRMRVPQ-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.69
Rot. Bonds4

About 2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride

2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride (PubChem CID 119461036) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride
PubChem CID119461036
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)C1CCCOC1c1ccccc1
InChIInChI=1S/C18H26N2O2.ClH/c21-18(20-13-14-6-4-10-19-12-14)16-9-5-11-22-17(16)15-7-2-1-3-8-15;/h1-3,7-8,14,16-17,19H,4-6,9-13H2,(H,20,21);1H
InChIKeyZVPXXCGBRMRVPQ-UHFFFAOYSA-N
XLogP2.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide
CID 119461037
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide
CID 115301019
2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide
CID 119425325
N-[2-(4-aminophenyl)ethyl]-2-phenyloxane-3-carboxamide;hydrochloride
CID 119548045
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 119464046
1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride
CID 165429715
2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 125148950
(2-phenyloxan-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119401034
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride?
The IUPAC name of 2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride (CID 119461036) is 2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride?
The canonical SMILES for 2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride is Cl.O=C(NCC1CCCNC1)C1CCCOC1c1ccccc1.
What is the InChIKey of 2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride?
The InChIKey is ZVPXXCGBRMRVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c21-18(20-13-14-6-4-10-19-12-14)16-9-5-11-22-17(16)15-7-2-1-3-8-15;/h1-3,7-8,14,16-17,19H,4-6,9-13H2,(H,20,21);1H.
What are the key properties of 2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride?
2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride is sourced from PubChem (CID 119461036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).