3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide

C13H22F2N2O — CID 114226274

IUPAC3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide
SMILESCC1CNCCC1CNC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C13H22F2N2O/c1-9-7-16-5-3-11(9)8-17-12(18)10-2-4-13(14,15)6-10/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyQVCLZDNFXQYPOH-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.78
Rot. Bonds3

About 3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide

3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 114226274) has the molecular formula C13H22F2N2O and a molecular weight of 260.33 g/mol. Its IUPAC name is 3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide
PubChem CID114226274
Molecular FormulaC13H22F2N2O
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide
SMILESCC1CNCCC1CNC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C13H22F2N2O/c1-9-7-16-5-3-11(9)8-17-12(18)10-2-4-13(14,15)6-10/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyQVCLZDNFXQYPOH-UHFFFAOYSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide
CID 129381532
5-methyl-N-[(3-methylpiperidin-4-yl)methyl]oxolane-2-carboxamide
CID 114699971
N-[(2-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 115738405
N-[(2-methylcyclopropyl)methyl]piperidine-4-carboxamide
CID 115733780
propan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate
CID 114700132
3,3-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 114226262
(1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide
CID 129348874
N-[(3-methylpiperidin-4-yl)methyl]-1,1-dioxothiane-2-carboxamide
CID 114699924
N-[(2-methylcyclopropyl)methyl]piperidine-3-carboxamide
CID 115733792
1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea
CID 166259351
5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 114226212
3,3-difluoro-N-methylcyclopentane-1-carboxamide
CID 118333876

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide (CID 114226274) is 3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide is CC1CNCCC1CNC(=O)C1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is QVCLZDNFXQYPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O/c1-9-7-16-5-3-11(9)8-17-12(18)10-2-4-13(14,15)6-10/h9-11,16H,2-8H2,1H3,(H,17,18).
What are the key properties of 3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide?
3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 260.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 114226274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).