1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide

C16H22F2N2O2 — CID 56822095

IUPAC1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(Cc2ccccc2OC(F)F)C1
InChIInChI=1S/C16H22F2N2O2/c1-19(2)15(21)13-7-5-9-20(11-13)10-12-6-3-4-8-14(12)22-16(17)18/h3-4,6,8,13,16H,5,7,9-11H2,1-2H3
InChIKeyQOSBXTHCCPOYPQ-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.59
Rot. Bonds5

About 1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide

1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 56822095) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID56822095
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(Cc2ccccc2OC(F)F)C1
InChIInChI=1S/C16H22F2N2O2/c1-19(2)15(21)13-7-5-9-20(11-13)10-12-6-3-4-8-14(12)22-16(17)18/h3-4,6,8,13,16H,5,7,9-11H2,1-2H3
InChIKeyQOSBXTHCCPOYPQ-UHFFFAOYSA-N
XLogP2.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 43440909
methyl 1-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112730646
2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid
CID 62688742
1-[(2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340
3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 42394249
1-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine
CID 61206348
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803
1-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121437
1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 86869685
3-[(3R)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 26327720
N,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide
CID 86869655
1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 119904478

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide (CID 56822095) is 1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide is CN(C)C(=O)C1CCCN(Cc2ccccc2OC(F)F)C1.
What is the InChIKey of 1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is QOSBXTHCCPOYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-19(2)15(21)13-7-5-9-20(11-13)10-12-6-3-4-8-14(12)22-16(17)18/h3-4,6,8,13,16H,5,7,9-11H2,1-2H3.
What are the key properties of 1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide?
1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 56822095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).