(2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride

C16H22ClF3N2O — CID 120636884

IUPAC(2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(CCC(F)(F)F)cc2)CCN1.Cl
InChIInChI=1S/C16H21F3N2O.ClH/c1-11-10-13(7-9-20-11)15(22)21-14-4-2-12(3-5-14)6-8-16(17,18)19;/h2-5,11,13,20H,6-10H2,1H3,(H,21,22);1H/t11-,13-;/m0./s1
InChIKeyUKYVHFFDPYTTDG-JZKFLRDJSA-N
MW350.81 g/mol
LogP3.93
Rot. Bonds4

About (2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120636884) has the molecular formula C16H22ClF3N2O and a molecular weight of 350.81 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120636884
Molecular FormulaC16H22ClF3N2O
Molecular Weight350.81 g/mol
Exact Mass350.14
IUPAC Name(2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(CCC(F)(F)F)cc2)CCN1.Cl
InChIInChI=1S/C16H21F3N2O.ClH/c1-11-10-13(7-9-20-11)15(22)21-14-4-2-12(3-5-14)6-8-16(17,18)19;/h2-5,11,13,20H,6-10H2,1H3,(H,21,22);1H/t11-,13-;/m0./s1
InChIKeyUKYVHFFDPYTTDG-JZKFLRDJSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619364
(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120633725
(2S,4S)-N-[4-(cyclopentyloxymethyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634548
(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120619247
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
methyl 2-[[2-[4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 120620844
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
(2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615898
(2S,4S)-N-[2-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616696
(2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616787

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride (CID 120636884) is (2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)Nc2ccc(CCC(F)(F)F)cc2)CCN1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is UKYVHFFDPYTTDG-JZKFLRDJSA-N. The full InChI is InChI=1S/C16H21F3N2O.ClH/c1-11-10-13(7-9-20-11)15(22)21-14-4-2-12(3-5-14)6-8-16(17,18)19;/h2-5,11,13,20H,6-10H2,1H3,(H,21,22);1H/t11-,13-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 350.81 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120636884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).