4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide

C18H26F2N2O — CID 119824702

IUPAC4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide
SMILESCCCN(C(=O)CCCc1ccc(F)c(F)c1)C1CCNCC1
InChIInChI=1S/C18H26F2N2O/c1-2-12-22(15-8-10-21-11-9-15)18(23)5-3-4-14-6-7-16(19)17(20)13-14/h6-7,13,15,21H,2-5,8-12H2,1H3
InChIKeyNJVHOFQMHWLFCL-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.28
Rot. Bonds7

About 4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide

4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide (PubChem CID 119824702) has the molecular formula C18H26F2N2O and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide
PubChem CID119824702
Molecular FormulaC18H26F2N2O
Molecular Weight324.41 g/mol
Exact Mass324.20
IUPAC Name4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide
SMILESCCCN(C(=O)CCCc1ccc(F)c(F)c1)C1CCNCC1
InChIInChI=1S/C18H26F2N2O/c1-2-12-22(15-8-10-21-11-9-15)18(23)5-3-4-14-6-7-16(19)17(20)13-14/h6-7,13,15,21H,2-5,8-12H2,1H3
InChIKeyNJVHOFQMHWLFCL-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119824958
4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552359
4-(3,4-difluorophenyl)-4-oxo-N-piperidin-4-yl-N-propylbutanamide
CID 119824265
5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide
CID 119823684
(3,4-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate
CID 18677719
(3,4-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate;hydrochloride
CID 18677718
3-naphthalen-2-yl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825837
N-piperidin-4-yl-N-propylhexanamide
CID 60807623
N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 115119108
N,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide
CID 119823717
3-(2,5-difluorophenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532213
3-(3,4-difluorophenyl)-N,N-dipropylpropanamide
CID 86929569

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide?
The IUPAC name of 4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide (CID 119824702) is 4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide?
The canonical SMILES for 4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide is CCCN(C(=O)CCCc1ccc(F)c(F)c1)C1CCNCC1.
What is the InChIKey of 4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide?
The InChIKey is NJVHOFQMHWLFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O/c1-2-12-22(15-8-10-21-11-9-15)18(23)5-3-4-14-6-7-16(19)17(20)13-14/h6-7,13,15,21H,2-5,8-12H2,1H3.
What are the key properties of 4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide?
4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide has a molecular weight of 324.41 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide is sourced from PubChem (CID 119824702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).