N-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride

C18H27ClN2O2 — CID 120573458

IUPACN-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C1CCCOC1c1ccccc1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-13-16(10-5-11-19-13)20-18(21)15-9-6-12-22-17(15)14-7-3-2-4-8-14;/h2-4,7-8,13,15-17,19H,5-6,9-12H2,1H3,(H,20,21);1H
InChIKeyFQFOSZLRFWBKIV-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.83
Rot. Bonds3

About N-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride

N-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride (PubChem CID 120573458) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride
PubChem CID120573458
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC NameN-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C1CCCOC1c1ccccc1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-13-16(10-5-11-19-13)20-18(21)15-9-6-12-22-17(15)14-7-3-2-4-8-14;/h2-4,7-8,13,15-17,19H,5-6,9-12H2,1H3,(H,20,21);1H
InChIKeyFQFOSZLRFWBKIV-UHFFFAOYSA-N
XLogP2.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 120576328
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N-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
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N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride
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2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride
CID 119461036
N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 120577340
2-(2,6-difluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120577001
N-[2-(4-aminophenyl)ethyl]-2-phenyloxane-3-carboxamide;hydrochloride
CID 119548045
2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide
CID 119425325
2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide
CID 119461037
N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 120577264

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride (CID 120573458) is N-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride is CC1NCCCC1NC(=O)C1CCCOC1c1ccccc1.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride?
The InChIKey is FQFOSZLRFWBKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-13-16(10-5-11-19-13)20-18(21)15-9-6-12-22-17(15)14-7-3-2-4-8-14;/h2-4,7-8,13,15-17,19H,5-6,9-12H2,1H3,(H,20,21);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120573458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).