1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C19H23F3N2O2 — CID 108980069

IUPAC1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1(C(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H23F3N2O2/c1-2-13-7-5-6-12-24(13)17(26)18(10-11-18)16(25)23-15-9-4-3-8-14(15)19(20,21)22/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,23,25)
InChIKeyKMMIJAIOFJAKJD-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.22
Rot. Bonds4

About 1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 108980069) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID108980069
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1(C(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H23F3N2O2/c1-2-13-7-5-6-12-24(13)17(26)18(10-11-18)16(25)23-15-9-4-3-8-14(15)19(20,21)22/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,23,25)
InChIKeyKMMIJAIOFJAKJD-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[1-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 108980112
1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974951
1-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 108980063
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
CID 108980012
(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone
CID 109264180
1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 108980086
(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]methanone
CID 109175655
N-(3-chloro-4-methoxyphenyl)-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108980054
N-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971442
(4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone
CID 108979977
1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 94800617
1-[(E)-N'-hydroxycarbamimidoyl]-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 80590517

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 108980069) is 1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is CCC1CCCCN1C(=O)C1(C(=O)Nc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is KMMIJAIOFJAKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O2/c1-2-13-7-5-6-12-24(13)17(26)18(10-11-18)16(25)23-15-9-4-3-8-14(15)19(20,21)22/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,23,25).
What are the key properties of 1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 108980069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).