N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,3-difluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C23H32F2N2O2 — CID 42402278

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-2,3-difluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(c1cccc(F)c1F)N(CC1CCN(C2CCCC2)CC1)C[C@@H]1CCCO1
InChIInChI=1S/C23H32F2N2O2/c24-21-9-3-8-20(22(21)25)23(28)27(16-19-7-4-14-29-19)15-17-10-12-26(13-11-17)18-5-1-2-6-18/h3,8-9,17-19H,1-2,4-7,10-16H2/t19-/m0/s1
InChIKeyULASNRFLOCGOID-IBGZPJMESA-N
MW406.52 g/mol
LogP4.24
Rot. Bonds6

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,3-difluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,3-difluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 42402278) has the molecular formula C23H32F2N2O2 and a molecular weight of 406.52 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,3-difluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2,3-difluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID42402278
Molecular FormulaC23H32F2N2O2
Molecular Weight406.52 g/mol
Exact Mass406.24
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2,3-difluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(c1cccc(F)c1F)N(CC1CCN(C2CCCC2)CC1)C[C@@H]1CCCO1
InChIInChI=1S/C23H32F2N2O2/c24-21-9-3-8-20(22(21)25)23(28)27(16-19-7-4-14-29-19)15-17-10-12-26(13-11-17)18-5-1-2-6-18/h3,8-9,17-19H,1-2,4-7,10-16H2/t19-/m0/s1
InChIKeyULASNRFLOCGOID-IBGZPJMESA-N
XLogP4.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,3-difluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide with MolForge

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Related Compounds

N-(2-Fluorobenzoyl)morpholine
CID 531931
N-(4-Fluorobenzoyl)morpholine
CID 531951
Oxolan-2-yl-[4-(2,3,4,5-tetrafluorobenzoyl)piperazin-1-yl]methanone
CID 4843810
4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
CID 4883577
4-Fluorophenyl 4-morpholin-4-ylpiperidyl ketone
CID 754216
N-allyl-6-(1-(4-fluorobenzoyl)piperidin-4-yloxy)-N-methylhexan-1-aminium
CID 44306062
N-(6-(1-(4-fluorobenzoyl)piperidin-4-yloxy)hexyl)-N-methylcyclopropanaminium
CID 44306371
3-Fluorobenzoic acid, morpholide
CID 532004
4-(2,6-Difluorobenzoyl)morpholine
CID 532216
[4-(4-Methylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 16276669
N-(2-{[1-(cyclopentylcarbamoyl)cyclohexyl](tetrahydrofuran-2-ylmethyl)amino}-2-oxoethyl)benzamide
CID 5036574
N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 54768934

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,3-difluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,3-difluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 42402278) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,3-difluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,3-difluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,3-difluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide is O=C(c1cccc(F)c1F)N(CC1CCN(C2CCCC2)CC1)C[C@@H]1CCCO1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,3-difluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is ULASNRFLOCGOID-IBGZPJMESA-N. The full InChI is InChI=1S/C23H32F2N2O2/c24-21-9-3-8-20(22(21)25)23(28)27(16-19-7-4-14-29-19)15-17-10-12-26(13-11-17)18-5-1-2-6-18/h3,8-9,17-19H,1-2,4-7,10-16H2/t19-/m0/s1.
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,3-difluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,3-difluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 406.52 g/mol, XLogP of 4.24, 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]-2,3-difluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 42402278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).