2-(2-ethylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide

C18H23FN2O2 — CID 109140348

IUPAC2-(2-ethylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1CC1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H23FN2O2/c1-2-14-8-3-4-9-21(14)18(23)16-11-15(16)17(22)20-13-7-5-6-12(19)10-13/h5-7,10,14-16H,2-4,8-9,11H2,1H3,(H,20,22)
InChIKeyTWDCLNFLUGONLG-UHFFFAOYSA-N
MW318.39 g/mol
LogP3.19
Rot. Bonds4

About 2-(2-ethylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide

2-(2-ethylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 109140348) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-(2-ethylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-ethylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID109140348
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name2-(2-ethylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1CC1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H23FN2O2/c1-2-14-8-3-4-9-21(14)18(23)16-11-15(16)17(22)20-13-7-5-6-12(19)10-13/h5-7,10,14-16H,2-4,8-9,11H2,1H3,(H,20,22)
InChIKeyTWDCLNFLUGONLG-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[[2-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109140336
2-(2-ethylpiperidine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 109140302
2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109140342
N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140356
N-(4-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140375
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
4-(2-ethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 109150013
2-(2-ethylpiperidine-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 109135337
1-N-(3-fluorophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130579
2-N-(3-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141073
2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 175733290
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 109137554

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-ethylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide (CID 109140348) is 2-(2-ethylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-ethylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-ethylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide is CCC1CCCCN1C(=O)C1CC1C(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-(2-ethylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is TWDCLNFLUGONLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-2-14-8-3-4-9-21(14)18(23)16-11-15(16)17(22)20-13-7-5-6-12(19)10-13/h5-7,10,14-16H,2-4,8-9,11H2,1H3,(H,20,22).
What are the key properties of 2-(2-ethylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide?
2-(2-ethylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 318.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109140348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).