N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride

C15H22ClFN2O2 — CID 119308648

IUPACN-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc(NC(=O)C2CCNCC2)c(F)c1.Cl
InChIInChI=1S/C15H21FN2O2.ClH/c1-10(2)20-12-3-4-14(13(16)9-12)18-15(19)11-5-7-17-8-6-11;/h3-4,9-11,17H,5-8H2,1-2H3,(H,18,19);1H
InChIKeyJCCZYYVSDQKQKH-UHFFFAOYSA-N
MW316.80 g/mol
LogP2.97
Rot. Bonds4

About N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride

N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119308648) has the molecular formula C15H22ClFN2O2 and a molecular weight of 316.80 g/mol. Its IUPAC name is N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119308648
Molecular FormulaC15H22ClFN2O2
Molecular Weight316.80 g/mol
Exact Mass316.14
IUPAC NameN-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc(NC(=O)C2CCNCC2)c(F)c1.Cl
InChIInChI=1S/C15H21FN2O2.ClH/c1-10(2)20-12-3-4-14(13(16)9-12)18-15(19)11-5-7-17-8-6-11;/h3-4,9-11,17H,5-8H2,1-2H3,(H,18,19);1H
InChIKeyJCCZYYVSDQKQKH-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 119757906
N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119284707
(2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120928774
4-N-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150875
(2S,5R)-5-(aminomethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120790571
N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119280596
2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119308646
(2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide
CID 119308643
N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119281807
N-(3-bromo-5-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 119344106
N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111113108
N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide
CID 43706019

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride (CID 119308648) is N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride is CC(C)Oc1ccc(NC(=O)C2CCNCC2)c(F)c1.Cl.
What is the InChIKey of N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is JCCZYYVSDQKQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2.ClH/c1-10(2)20-12-3-4-14(13(16)9-12)18-15(19)11-5-7-17-8-6-11;/h3-4,9-11,17H,5-8H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride?
N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 316.80 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119308648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).