N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride

C18H27ClN2O2 — CID 119343321

IUPACN-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(C2OCCCC2NC(=O)C2CCCNC2)cc1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-13-6-8-14(9-7-13)17-16(5-3-11-22-17)20-18(21)15-4-2-10-19-12-15;/h6-9,15-17,19H,2-5,10-12H2,1H3,(H,20,21);1H
InChIKeySPPZFQDPQZVLTG-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.75
Rot. Bonds3

About N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride

N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119343321) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride
PubChem CID119343321
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC NameN-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(C2OCCCC2NC(=O)C2CCCNC2)cc1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-13-6-8-14(9-7-13)17-16(5-3-11-22-17)20-18(21)15-4-2-10-19-12-15;/h6-9,15-17,19H,2-5,10-12H2,1H3,(H,20,21);1H
InChIKeySPPZFQDPQZVLTG-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide
CID 95964708
2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide
CID 119425325
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide
CID 119794651
N-(2-phenylcyclopentyl)piperidine-3-carboxamide;hydrochloride
CID 119323289
2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride
CID 119818126
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide
CID 120991542
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299602
1-methyl-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]pyrazole-4-carboxamide
CID 96565943
3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide
CID 95964683
N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-3-carboxamide
CID 107222065

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride (CID 119343321) is N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride is Cc1ccc(C2OCCCC2NC(=O)C2CCCNC2)cc1.Cl.
What is the InChIKey of N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is SPPZFQDPQZVLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-13-6-8-14(9-7-13)17-16(5-3-11-22-17)20-18(21)15-4-2-10-19-12-15;/h6-9,15-17,19H,2-5,10-12H2,1H3,(H,20,21);1H.
What are the key properties of N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride?
N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119343321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).