N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide

C17H24ClFN2O — CID 119745659

IUPACN-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H24ClFN2O/c1-11(14-4-3-7-20-10-14)8-17(22)21-12(2)13-5-6-16(19)15(18)9-13/h5-6,9,11-12,14,20H,3-4,7-8,10H2,1-2H3,(H,21,22)
InChIKeyILSGEPBPTOYNBI-UHFFFAOYSA-N
MW326.84 g/mol
LogP3.68
Rot. Bonds5

About N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide

N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide (PubChem CID 119745659) has the molecular formula C17H24ClFN2O and a molecular weight of 326.84 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
PubChem CID119745659
Molecular FormulaC17H24ClFN2O
Molecular Weight326.84 g/mol
Exact Mass326.16
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H24ClFN2O/c1-11(14-4-3-7-20-10-14)8-17(22)21-12(2)13-5-6-16(19)15(18)9-13/h5-6,9,11-12,14,20H,3-4,7-8,10H2,1-2H3,(H,21,22)
InChIKeyILSGEPBPTOYNBI-UHFFFAOYSA-N
XLogP3.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.84
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119716767
3-piperidin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119706901
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716485
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119694049
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119699863
3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119686323
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119721204
1-(3-chloro-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one
CID 103042622
N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119757975
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119736178

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide (CID 119745659) is N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide is CC(NC(=O)CC(C)C1CCCNC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide?
The InChIKey is ILSGEPBPTOYNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2O/c1-11(14-4-3-7-20-10-14)8-17(22)21-12(2)13-5-6-16(19)15(18)9-13/h5-6,9,11-12,14,20H,3-4,7-8,10H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide?
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide has a molecular weight of 326.84 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119745659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).