(2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride

C17H25ClF2N2O3 — CID 120621587

IUPAC(2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(CN(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1OC(F)F.Cl
InChIInChI=1S/C17H24F2N2O3.ClH/c1-11-8-13(6-7-20-11)16(22)21(2)10-12-4-5-14(23-3)15(9-12)24-17(18)19;/h4-5,9,11,13,17,20H,6-8,10H2,1-3H3;1H/t11-,13-;/m0./s1
InChIKeyBDBSMJZUEWGJMI-JZKFLRDJSA-N
MW378.85 g/mol
LogP3.06
Rot. Bonds6

About (2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120621587) has the molecular formula C17H25ClF2N2O3 and a molecular weight of 378.85 g/mol. Its IUPAC name is (2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
PubChem CID120621587
Molecular FormulaC17H25ClF2N2O3
Molecular Weight378.85 g/mol
Exact Mass378.15
IUPAC Name(2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(CN(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1OC(F)F.Cl
InChIInChI=1S/C17H24F2N2O3.ClH/c1-11-8-13(6-7-20-11)16(22)21(2)10-12-4-5-14(23-3)15(9-12)24-17(18)19;/h4-5,9,11,13,17,20H,6-8,10H2,1-3H3;1H/t11-,13-;/m0./s1
InChIKeyBDBSMJZUEWGJMI-JZKFLRDJSA-N
XLogP3.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.85
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119285874
(2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120629959
(2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120640700
N-[(2-methoxyphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 106739545
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55625221
(2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyloxolane-2-carboxamide
CID 94182088
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide
CID 55611938
(2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120617586
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56582546
(3R,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120923383
1-benzoyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 112819653
(2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 120618816

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride (CID 120621587) is (2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride is COc1ccc(CN(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1OC(F)F.Cl.
What is the InChIKey of (2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is BDBSMJZUEWGJMI-JZKFLRDJSA-N. The full InChI is InChI=1S/C17H24F2N2O3.ClH/c1-11-8-13(6-7-20-11)16(22)21(2)10-12-4-5-14(23-3)15(9-12)24-17(18)19;/h4-5,9,11,13,17,20H,6-8,10H2,1-3H3;1H/t11-,13-;/m0./s1.
What are the key properties of (2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 378.85 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120621587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).