N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide

C18H23FN2O2 — CID 110819444

IUPACN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide
SMILESO=C(CCc1ccccc1F)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H23FN2O2/c19-16-4-2-1-3-13(16)7-8-17(22)20-15-9-11-21(12-10-15)18(23)14-5-6-14/h1-4,14-15H,5-12H2,(H,20,22)
InChIKeyULRREQIBLRXXCX-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.28
Rot. Bonds5

About N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide (PubChem CID 110819444) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide
PubChem CID110819444
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide
SMILESO=C(CCc1ccccc1F)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H23FN2O2/c19-16-4-2-1-3-13(16)7-8-17(22)20-15-9-11-21(12-10-15)18(23)14-5-6-14/h1-4,14-15H,5-12H2,(H,20,22)
InChIKeyULRREQIBLRXXCX-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
CID 110819642
4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide
CID 110822027
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822692
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide
CID 110822698
methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821770
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide
CID 110822175
3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide
CID 108556562
N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 55692324
N-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 41266031
N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 110819982

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide (CID 110819444) is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide is O=C(CCc1ccccc1F)NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide?
The InChIKey is ULRREQIBLRXXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-16-4-2-1-3-13(16)7-8-17(22)20-15-9-11-21(12-10-15)18(23)14-5-6-14/h1-4,14-15H,5-12H2,(H,20,22).
What are the key properties of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide?
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide has a molecular weight of 318.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 110819444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).