2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide

C18H24F2N2O2 — CID 111433991

IUPAC2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide
SMILESO=C(NCCCN1CCC(O)CC1)C1CC1c1ccc(F)cc1F
InChIInChI=1S/C18H24F2N2O2/c19-12-2-3-14(17(20)10-12)15-11-16(15)18(24)21-6-1-7-22-8-4-13(23)5-9-22/h2-3,10,13,15-16,23H,1,4-9,11H2,(H,21,24)
InChIKeyIPEIZKZYAIAVJE-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.03
Rot. Bonds6

About 2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide

2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide (PubChem CID 111433991) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide
PubChem CID111433991
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide
SMILESO=C(NCCCN1CCC(O)CC1)C1CC1c1ccc(F)cc1F
InChIInChI=1S/C18H24F2N2O2/c19-12-2-3-14(17(20)10-12)15-11-16(15)18(24)21-6-1-7-22-8-4-13(23)5-9-22/h2-3,10,13,15-16,23H,1,4-9,11H2,(H,21,24)
InChIKeyIPEIZKZYAIAVJE-UHFFFAOYSA-N
XLogP2.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 124700868
2-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119432498
cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[3-(methanesulfonamido)propyl]cyclopropane-1-carboxamide
CID 96533325
cis-(1R,2S)-N-[2-(cyclopropylmethoxy)ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 95625521
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 97076812
3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide
CID 111429680
2-(2,4-difluorophenyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 86945405
2-(2,4-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119536420
2-(2,5-difluorophenyl)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 75494414
2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide
CID 119557840
cis-(1S,2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 97213304
3-[[(1S,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704684

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide (CID 111433991) is 2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide is O=C(NCCCN1CCC(O)CC1)C1CC1c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide?
The InChIKey is IPEIZKZYAIAVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c19-12-2-3-14(17(20)10-12)15-11-16(15)18(24)21-6-1-7-22-8-4-13(23)5-9-22/h2-3,10,13,15-16,23H,1,4-9,11H2,(H,21,24).
What are the key properties of 2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide?
2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide has a molecular weight of 338.40 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 111433991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).