N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide

C17H24F2N2O2 — CID 125138738

IUPACN-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide
SMILESCC(F)(F)CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO
InChIInChI=1S/C17H24F2N2O2/c1-17(18,19)9-16(23)20-15-11-21(8-7-14(15)12-22)10-13-5-3-2-4-6-13/h2-6,14-15,22H,7-12H2,1H3,(H,20,23)/t14-,15-/m1/s1
InChIKeyCRHGKBCQKIXWMS-HUUCEWRRSA-N
MW326.39 g/mol
LogP2.03
Rot. Bonds6

About N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide

N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide (PubChem CID 125138738) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide
PubChem CID125138738
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC NameN-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide
SMILESCC(F)(F)CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO
InChIInChI=1S/C17H24F2N2O2/c1-17(18,19)9-16(23)20-15-11-21(8-7-14(15)12-22)10-13-5-3-2-4-6-13/h2-6,14-15,22H,7-12H2,1H3,(H,20,23)/t14-,15-/m1/s1
InChIKeyCRHGKBCQKIXWMS-HUUCEWRRSA-N
XLogP2.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 110000354
1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea
CID 98775527
[(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol
CID 97177578
[(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 129426897
[1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 71633079
N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-chlorofuran-2-carboxamide
CID 97248022
N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-2-carboxamide
CID 124725548
N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-methylthiophene-3-carboxamide
CID 98854261
tert-butyl N-[(3R,4R)-1-benzyl-4-(2-fluoroethyl)piperidin-3-yl]carbamate
CID 20599298
tert-butyl N-[(3S,4S)-1-benzyl-4-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 86587101
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 124740057
N-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide
CID 98887099

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide?
The IUPAC name of N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide (CID 125138738) is N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide.
What is the SMILES notation for N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide?
The canonical SMILES for N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide is CC(F)(F)CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO.
What is the InChIKey of N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide?
The InChIKey is CRHGKBCQKIXWMS-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-17(18,19)9-16(23)20-15-11-21(8-7-14(15)12-22)10-13-5-3-2-4-6-13/h2-6,14-15,22H,7-12H2,1H3,(H,20,23)/t14-,15-/m1/s1.
What are the key properties of N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide?
N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide has a molecular weight of 326.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide is sourced from PubChem (CID 125138738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).