N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride

C15H21ClF2N2O2 — CID 119340121

IUPACN-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride
SMILESCc1ccc(OC(F)F)c(CNC(=O)C2CCCCN2)c1.Cl
InChIInChI=1S/C15H20F2N2O2.ClH/c1-10-5-6-13(21-15(16)17)11(8-10)9-19-14(20)12-4-2-3-7-18-12;/h5-6,8,12,15,18H,2-4,7,9H2,1H3,(H,19,20);1H
InChIKeyJRVDHECAYZTMQP-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.78
Rot. Bonds5

About N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride

N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119340121) has the molecular formula C15H21ClF2N2O2 and a molecular weight of 334.79 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119340121
Molecular FormulaC15H21ClF2N2O2
Molecular Weight334.79 g/mol
Exact Mass334.13
IUPAC NameN-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride
SMILESCc1ccc(OC(F)F)c(CNC(=O)C2CCCCN2)c1.Cl
InChIInChI=1S/C15H20F2N2O2.ClH/c1-10-5-6-13(21-15(16)17)11(8-10)9-19-14(20)12-4-2-3-7-18-12;/h5-6,8,12,15,18H,2-4,7,9H2,1H3,(H,19,20);1H
InChIKeyJRVDHECAYZTMQP-UHFFFAOYSA-N
XLogP2.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 71985278
(2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61252076
(2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 84588646
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 119285265
3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide
CID 119812541
(2R)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808409
3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119812538
2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride
CID 119812552
N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280684
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119271349
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride
CID 119812554
N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296053

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride (CID 119340121) is N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride is Cc1ccc(OC(F)F)c(CNC(=O)C2CCCCN2)c1.Cl.
What is the InChIKey of N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is JRVDHECAYZTMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2.ClH/c1-10-5-6-13(21-15(16)17)11(8-10)9-19-14(20)12-4-2-3-7-18-12;/h5-6,8,12,15,18H,2-4,7,9H2,1H3,(H,19,20);1H.
What are the key properties of N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride?
N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 334.79 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119340121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).