2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide

C18H25F2N3O2 — CID 119785718

IUPAC2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
SMILESCC(CC(=O)NCCNC(=O)c1c(F)cccc1F)C1CCNCC1
InChIInChI=1S/C18H25F2N3O2/c1-12(13-5-7-21-8-6-13)11-16(24)22-9-10-23-18(25)17-14(19)3-2-4-15(17)20/h2-4,12-13,21H,5-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyJROKZXYQGSDRPS-UHFFFAOYSA-N
MW353.41 g/mol
LogP1.84
Rot. Bonds7

About 2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide

2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide (PubChem CID 119785718) has the molecular formula C18H25F2N3O2 and a molecular weight of 353.41 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
PubChem CID119785718
Molecular FormulaC18H25F2N3O2
Molecular Weight353.41 g/mol
Exact Mass353.19
IUPAC Name2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
SMILESCC(CC(=O)NCCNC(=O)c1c(F)cccc1F)C1CCNCC1
InChIInChI=1S/C18H25F2N3O2/c1-12(13-5-7-21-8-6-13)11-16(24)22-9-10-23-18(25)17-14(19)3-2-4-15(17)20/h2-4,12-13,21H,5-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyJROKZXYQGSDRPS-UHFFFAOYSA-N
XLogP1.84
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,6-difluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722580
2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119703578
4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703424
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119718894
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119741133
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722521
N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119789313
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide (CID 119785718) is 2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide is CC(CC(=O)NCCNC(=O)c1c(F)cccc1F)C1CCNCC1.
What is the InChIKey of 2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide?
The InChIKey is JROKZXYQGSDRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O2/c1-12(13-5-7-21-8-6-13)11-16(24)22-9-10-23-18(25)17-14(19)3-2-4-15(17)20/h2-4,12-13,21H,5-11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide?
2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide has a molecular weight of 353.41 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide is sourced from PubChem (CID 119785718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).