N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide

C24H30FN3O — CID 29150071

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1cccc(F)c1)N(Cc1cccnc1)CC1CCN(C2CCCC2)CC1
InChIInChI=1S/C24H30FN3O/c25-22-7-3-6-21(15-22)24(29)28(18-20-5-4-12-26-16-20)17-19-10-13-27(14-11-19)23-8-1-2-9-23/h3-7,12,15-16,19,23H,1-2,8-11,13-14,17-18H2
InChIKeyIFRPPVDOBCLLTK-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.52
Rot. Bonds6

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 29150071) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
PubChem CID29150071
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1cccc(F)c1)N(Cc1cccnc1)CC1CCN(C2CCCC2)CC1
InChIInChI=1S/C24H30FN3O/c25-22-7-3-6-21(15-22)24(29)28(18-20-5-4-12-26-16-20)17-19-10-13-27(14-11-19)23-8-1-2-9-23/h3-7,12,15-16,19,23H,1-2,8-11,13-14,17-18H2
InChIKeyIFRPPVDOBCLLTK-UHFFFAOYSA-N
XLogP4.52
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 56706021
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-pyrazol-1-yl-N-(pyridin-3-ylmethyl)acetamide
CID 56854235
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
methyl 5-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate
CID 42518002
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 45215267
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 97281081
N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 45180714
1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
CID 45198131
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-3-fluorobenzamide
CID 25453562
3-amino-N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 72885841
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 42591164
4-fluoro-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55900156

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide (CID 29150071) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide is O=C(c1cccc(F)c1)N(Cc1cccnc1)CC1CCN(C2CCCC2)CC1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is IFRPPVDOBCLLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c25-22-7-3-6-21(15-22)24(29)28(18-20-5-4-12-26-16-20)17-19-10-13-27(14-11-19)23-8-1-2-9-23/h3-7,12,15-16,19,23H,1-2,8-11,13-14,17-18H2.
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 395.52 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 29150071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).