2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide

C17H22F2N2O — CID 119557840

IUPAC2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCC1CCCNC1)C1CC1c1ccc(F)cc1F
InChIInChI=1S/C17H22F2N2O/c18-12-3-4-13(16(19)8-12)14-9-15(14)17(22)21-7-5-11-2-1-6-20-10-11/h3-4,8,11,14-15,20H,1-2,5-7,9-10H2,(H,21,22)
InChIKeyVMRIKLCGAVNQAK-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.57
Rot. Bonds5

About 2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide

2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide (PubChem CID 119557840) has the molecular formula C17H22F2N2O and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide
PubChem CID119557840
Molecular FormulaC17H22F2N2O
Molecular Weight308.37 g/mol
Exact Mass308.17
IUPAC Name2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCC1CCCNC1)C1CC1c1ccc(F)cc1F
InChIInChI=1S/C17H22F2N2O/c18-12-3-4-13(16(19)8-12)14-9-15(14)17(22)21-7-5-11-2-1-6-20-10-11/h3-4,8,11,14-15,20H,1-2,5-7,9-10H2,(H,21,22)
InChIKeyVMRIKLCGAVNQAK-UHFFFAOYSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119536420
2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 119462854
2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119462853
2-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide
CID 119555338
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 97076812
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556859
4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide
CID 103806776
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556858
2-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119432498
4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 124700868
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide (CID 119557840) is 2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide is O=C(NCCC1CCCNC1)C1CC1c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is VMRIKLCGAVNQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O/c18-12-3-4-13(16(19)8-12)14-9-15(14)17(22)21-7-5-11-2-1-6-20-10-11/h3-4,8,11,14-15,20H,1-2,5-7,9-10H2,(H,21,22).
What are the key properties of 2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide?
2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 308.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119557840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).