N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide

C18H22F2N2O2 — CID 51087123

IUPACN-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(C(=O)c2cc(F)ccc2F)CC1)NC1CC1
InChIInChI=1S/C18H22F2N2O2/c19-13-1-4-16(20)15(11-13)18(24)12-5-8-22(9-6-12)10-7-17(23)21-14-2-3-14/h1,4,11-12,14H,2-3,5-10H2,(H,21,23)
InChIKeyIKKJVVAUAPVKIN-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.53
Rot. Bonds6

About N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide

N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide (PubChem CID 51087123) has the molecular formula C18H22F2N2O2 and a molecular weight of 336.38 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide
PubChem CID51087123
Molecular FormulaC18H22F2N2O2
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC NameN-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(C(=O)c2cc(F)ccc2F)CC1)NC1CC1
InChIInChI=1S/C18H22F2N2O2/c19-13-1-4-16(20)15(11-13)18(24)12-5-8-22(9-6-12)10-7-17(23)21-14-2-3-14/h1,4,11-12,14H,2-3,5-10H2,(H,21,23)
InChIKeyIKKJVVAUAPVKIN-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanoylamino]benzamide
CID 55841465
N-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55738197
N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide
CID 51119993
1-[3-(cyclopentylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 51124193
N-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55842103
N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide
CID 55739387
N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
CID 25018367
N-(3-chloro-4-methylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55841590
N-(2-chloro-4-methylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55841846
(2,5-difluorophenyl)-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanone
CID 119930632
2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 55841850
N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-3-carboxamide
CID 25018369

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide (CID 51087123) is N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide is O=C(CCN1CCC(C(=O)c2cc(F)ccc2F)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide?
The InChIKey is IKKJVVAUAPVKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O2/c19-13-1-4-16(20)15(11-13)18(24)12-5-8-22(9-6-12)10-7-17(23)21-14-2-3-14/h1,4,11-12,14H,2-3,5-10H2,(H,21,23).
What are the key properties of N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide?
N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide has a molecular weight of 336.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 51087123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).