(2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C14H19ClF2N2O2 — CID 120616787

IUPAC(2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(OC(F)F)cc2)CCN1.Cl
InChIInChI=1S/C14H18F2N2O2.ClH/c1-9-8-10(6-7-17-9)13(19)18-11-2-4-12(5-3-11)20-14(15)16;/h2-5,9-10,14,17H,6-8H2,1H3,(H,18,19);1H/t9-,10-;/m0./s1
InChIKeyHSRQJAUIRAITTC-IYPAPVHQSA-N
MW320.77 g/mol
LogP3.04
Rot. Bonds4

About (2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120616787) has the molecular formula C14H19ClF2N2O2 and a molecular weight of 320.77 g/mol. Its IUPAC name is (2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120616787
Molecular FormulaC14H19ClF2N2O2
Molecular Weight320.77 g/mol
Exact Mass320.11
IUPAC Name(2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(OC(F)F)cc2)CCN1.Cl
InChIInChI=1S/C14H18F2N2O2.ClH/c1-9-8-10(6-7-17-9)13(19)18-11-2-4-12(5-3-11)20-14(15)16;/h2-5,9-10,14,17H,6-8H2,1H3,(H,18,19);1H/t9-,10-;/m0./s1
InChIKeyHSRQJAUIRAITTC-IYPAPVHQSA-N
XLogP3.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[3-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120620400
(2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624355
(2S,4S)-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623737
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615898
(2S,4S)-2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619364
(2S,4S)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621299
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359
(2S,4S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide
CID 120618742
(2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide
CID 120630872

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120616787) is (2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)Nc2ccc(OC(F)F)cc2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is HSRQJAUIRAITTC-IYPAPVHQSA-N. The full InChI is InChI=1S/C14H18F2N2O2.ClH/c1-9-8-10(6-7-17-9)13(19)18-11-2-4-12(5-3-11)20-14(15)16;/h2-5,9-10,14,17H,6-8H2,1H3,(H,18,19);1H/t9-,10-;/m0./s1.
What are the key properties of (2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 320.77 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120616787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).