N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide

C18H24F2N2O — CID 16895608

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide
SMILESO=C(NCC1CCN(C2CCCC2)CC1)c1c(F)cccc1F
InChIInChI=1S/C18H24F2N2O/c19-15-6-3-7-16(20)17(15)18(23)21-12-13-8-10-22(11-9-13)14-4-1-2-5-14/h3,6-7,13-14H,1-2,4-5,8-12H2,(H,21,23)
InChIKeyXBOFDAVKMRFTSF-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.35
Rot. Bonds4

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide (PubChem CID 16895608) has the molecular formula C18H24F2N2O and a molecular weight of 322.40 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide
PubChem CID16895608
Molecular FormulaC18H24F2N2O
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide
SMILESO=C(NCC1CCN(C2CCCC2)CC1)c1c(F)cccc1F
InChIInChI=1S/C18H24F2N2O/c19-15-6-3-7-16(20)17(15)18(23)21-12-13-8-10-22(11-9-13)14-4-1-2-5-14/h3,6-7,13-14H,1-2,4-5,8-12H2,(H,21,23)
InChIKeyXBOFDAVKMRFTSF-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
CID 106124024
2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
CID 115678359
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 93422584
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
2,6-difluoro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896109
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976
2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895942
3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide
CID 79758259
2-chloro-6-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 86263563
N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide
CID 117063447
2-chloro-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-6-fluorobenzamide
CID 108922186
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide (CID 16895608) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide is O=C(NCC1CCN(C2CCCC2)CC1)c1c(F)cccc1F.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide?
The InChIKey is XBOFDAVKMRFTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O/c19-15-6-3-7-16(20)17(15)18(23)21-12-13-8-10-22(11-9-13)14-4-1-2-5-14/h3,6-7,13-14H,1-2,4-5,8-12H2,(H,21,23).
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide has a molecular weight of 322.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide is sourced from PubChem (CID 16895608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).