2-(4-fluorophenyl)-N-[4-(4-hydroxypiperidin-1-yl)phenyl]cyclopropane-1-carboxamide

C21H23FN2O2 — CID 71941507

IUPAC2-(4-fluorophenyl)-N-[4-(4-hydroxypiperidin-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCC(O)CC2)cc1)C1CC1c1ccc(F)cc1
InChIInChI=1S/C21H23FN2O2/c22-15-3-1-14(2-4-15)19-13-20(19)21(26)23-16-5-7-17(8-6-16)24-11-9-18(25)10-12-24/h1-8,18-20,25H,9-13H2,(H,23,26)
InChIKeyVZRXIVFBSGUKAR-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.53
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[4-(4-hydroxypiperidin-1-yl)phenyl]cyclopropane-1-carboxamide

2-(4-fluorophenyl)-N-[4-(4-hydroxypiperidin-1-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 71941507) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-(4-hydroxypiperidin-1-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-(4-hydroxypiperidin-1-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID71941507
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name2-(4-fluorophenyl)-N-[4-(4-hydroxypiperidin-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCC(O)CC2)cc1)C1CC1c1ccc(F)cc1
InChIInChI=1S/C21H23FN2O2/c22-15-3-1-14(2-4-15)19-13-20(19)21(26)23-16-5-7-17(8-6-16)24-11-9-18(25)10-12-24/h1-8,18-20,25H,9-13H2,(H,23,26)
InChIKeyVZRXIVFBSGUKAR-UHFFFAOYSA-N
XLogP3.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109142764
trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 118736163
cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96564449
N-[4-(4-hydroxypiperidin-1-yl)phenyl]acetamide
CID 57253854
cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96564617
2-phenyl-N-(4-pyrazol-1-ylphenyl)cyclopropane-1-carboxamide
CID 45154230
2-(4-fluorophenyl)-N-[4-[4-(methoxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide
CID 164531756
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 94525636
2-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 51291677
trans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 30461454
2-[(4-pyrrolidin-1-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 82036772
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 110627179

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-(4-hydroxypiperidin-1-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-(4-hydroxypiperidin-1-yl)phenyl]cyclopropane-1-carboxamide (CID 71941507) is 2-(4-fluorophenyl)-N-[4-(4-hydroxypiperidin-1-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-(4-hydroxypiperidin-1-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-(4-hydroxypiperidin-1-yl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(N2CCC(O)CC2)cc1)C1CC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-(4-hydroxypiperidin-1-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is VZRXIVFBSGUKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-15-3-1-14(2-4-15)19-13-20(19)21(26)23-16-5-7-17(8-6-16)24-11-9-18(25)10-12-24/h1-8,18-20,25H,9-13H2,(H,23,26).
What are the key properties of 2-(4-fluorophenyl)-N-[4-(4-hydroxypiperidin-1-yl)phenyl]cyclopropane-1-carboxamide?
2-(4-fluorophenyl)-N-[4-(4-hydroxypiperidin-1-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-(4-hydroxypiperidin-1-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71941507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).