(3R)-1-[(1R,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]-N-ethylpiperidine-3-carboxamide

C18H22F2N2O2 — CID 129428796

IUPAC(3R)-1-[(1R,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)C1
InChIInChI=1S/C18H22F2N2O2/c1-2-21-17(23)11-4-3-7-22(10-11)18(24)15-9-13(15)14-8-12(19)5-6-16(14)20/h5-6,8,11,13,15H,2-4,7,9-10H2,1H3,(H,21,23)/t11-,13+,15-/m1/s1
InChIKeyIRSCIXDXCXFQBV-OSAQELSMSA-N
MW336.38 g/mol
LogP2.44
Rot. Bonds4

About (3R)-1-[(1R,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]-N-ethylpiperidine-3-carboxamide

(3R)-1-[(1R,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]-N-ethylpiperidine-3-carboxamide (PubChem CID 129428796) has the molecular formula C18H22F2N2O2 and a molecular weight of 336.38 g/mol. Its IUPAC name is (3R)-1-[(1R,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]-N-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(1R,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]-N-ethylpiperidine-3-carboxamide
PubChem CID129428796
Molecular FormulaC18H22F2N2O2
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Name(3R)-1-[(1R,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)C1
InChIInChI=1S/C18H22F2N2O2/c1-2-21-17(23)11-4-3-7-22(10-11)18(24)15-9-13(15)14-8-12(19)5-6-16(14)20/h5-6,8,11,13,15H,2-4,7,9-10H2,1H3,(H,21,23)/t11-,13+,15-/m1/s1
InChIKeyIRSCIXDXCXFQBV-OSAQELSMSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 124607198
[(1R,2R)-2-(2,5-difluorophenyl)cyclopropyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 124607197
3-[(3S)-1-[(1R,2S)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]propanoic acid
CID 124700558
[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 119401469
[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95776393
[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401468
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[(1S,2R)-2-(2,5-difluorophenyl)cyclopropyl]methanone
CID 125147004
N-(2-aminoethyl)-1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
CID 119479658
2-(2,5-difluorophenyl)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 75494414
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 97076783
(3R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 125132949

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1R,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]-N-ethylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(1R,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]-N-ethylpiperidine-3-carboxamide (CID 129428796) is (3R)-1-[(1R,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]-N-ethylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(1R,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]-N-ethylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(1R,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]-N-ethylpiperidine-3-carboxamide is CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)C1.
What is the InChIKey of (3R)-1-[(1R,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]-N-ethylpiperidine-3-carboxamide?
The InChIKey is IRSCIXDXCXFQBV-OSAQELSMSA-N. The full InChI is InChI=1S/C18H22F2N2O2/c1-2-21-17(23)11-4-3-7-22(10-11)18(24)15-9-13(15)14-8-12(19)5-6-16(14)20/h5-6,8,11,13,15H,2-4,7,9-10H2,1H3,(H,21,23)/t11-,13+,15-/m1/s1.
What are the key properties of (3R)-1-[(1R,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]-N-ethylpiperidine-3-carboxamide?
(3R)-1-[(1R,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]-N-ethylpiperidine-3-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1R,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]-N-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 129428796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).