4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride

C16H22ClF3N2O2 — CID 119819398

IUPAC4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2cccc(CCC(F)(F)F)c2)CCNCC1.Cl
InChIInChI=1S/C16H21F3N2O2.ClH/c1-23-15(7-9-20-10-8-15)14(22)21-13-4-2-3-12(11-13)5-6-16(17,18)19;/h2-4,11,20H,5-10H2,1H3,(H,21,22);1H
InChIKeyHDXZUZJPIZYIFE-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.31
Rot. Bonds5

About 4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride

4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119819398) has the molecular formula C16H22ClF3N2O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119819398
Molecular FormulaC16H22ClF3N2O2
Molecular Weight366.81 g/mol
Exact Mass366.13
IUPAC Name4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2cccc(CCC(F)(F)F)c2)CCNCC1.Cl
InChIInChI=1S/C16H21F3N2O2.ClH/c1-23-15(7-9-20-10-8-15)14(22)21-13-4-2-3-12(11-13)5-6-16(17,18)19;/h2-4,11,20H,5-10H2,1H3,(H,21,22);1H
InChIKeyHDXZUZJPIZYIFE-UHFFFAOYSA-N
XLogP3.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119675705
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N-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119801073
N-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119787035
N-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119770540
N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119710488
4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide
CID 119751959
4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119846179
4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119700736
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
N-(4-fluoro-3-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119707232
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119710766

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride (CID 119819398) is 4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride is COC1(C(=O)Nc2cccc(CCC(F)(F)F)c2)CCNCC1.Cl.
What is the InChIKey of 4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is HDXZUZJPIZYIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2.ClH/c1-23-15(7-9-20-10-8-15)14(22)21-13-4-2-3-12(11-13)5-6-16(17,18)19;/h2-4,11,20H,5-10H2,1H3,(H,21,22);1H.
What are the key properties of 4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 366.81 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119819398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).