N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide

C17H22F2N2O — CID 166603468

IUPACN-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C1CCCN(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C17H22F2N2O/c1-20(17(22)13-4-5-13)16-3-2-6-21(11-16)10-12-7-14(18)9-15(19)8-12/h7-9,13,16H,2-6,10-11H2,1H3
InChIKeyPIKJJXNWXCLDOA-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.80
Rot. Bonds4

About N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide

N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide (PubChem CID 166603468) has the molecular formula C17H22F2N2O and a molecular weight of 308.37 g/mol. Its IUPAC name is N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide
PubChem CID166603468
Molecular FormulaC17H22F2N2O
Molecular Weight308.37 g/mol
Exact Mass308.17
IUPAC NameN-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C1CCCN(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C17H22F2N2O/c1-20(17(22)13-4-5-13)16-3-2-6-21(11-16)10-12-7-14(18)9-15(19)8-12/h7-9,13,16H,2-6,10-11H2,1H3
InChIKeyPIKJJXNWXCLDOA-UHFFFAOYSA-N
XLogP2.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335916
N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide
CID 166606164
N-methyl-N-[1-(1,3-oxazol-4-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 172880855
N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 166600630
N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]cyclopropanecarboxamide
CID 166602686
4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide
CID 42300426
N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 127393578
N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride
CID 119857542
N-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 154872949
(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol
CID 107225646
N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171336018
N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide
CID 136515164

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide (CID 166603468) is N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide is CN(C(=O)C1CC1)C1CCCN(Cc2cc(F)cc(F)c2)C1.
What is the InChIKey of N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide?
The InChIKey is PIKJJXNWXCLDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O/c1-20(17(22)13-4-5-13)16-3-2-6-21(11-16)10-12-7-14(18)9-15(19)8-12/h7-9,13,16H,2-6,10-11H2,1H3.
What are the key properties of N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide?
N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide has a molecular weight of 308.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 166603468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).