cis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide

C19H25FN2O2 — CID 95233166

IUPACcis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC[C@@H]1CCCN(C(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@@H]2C)C1
InChIInChI=1S/C19H25FN2O2/c1-3-13-5-4-8-22(11-13)19(24)16-10-14(20)6-7-17(16)21-18(23)15-9-12(15)2/h6-7,10,12-13,15H,3-5,8-9,11H2,1-2H3,(H,21,23)/t12-,13+,15+/m0/s1
InChIKeyGHAGNOXIFXXSFO-GZBFAFLISA-N
MW332.42 g/mol
LogP3.68
Rot. Bonds4

About cis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 95233166) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is cis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID95233166
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Namecis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC[C@@H]1CCCN(C(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@@H]2C)C1
InChIInChI=1S/C19H25FN2O2/c1-3-13-5-4-8-22(11-13)19(24)16-10-14(20)6-7-17(16)21-18(23)15-9-12(15)2/h6-7,10,12-13,15H,3-5,8-9,11H2,1-2H3,(H,21,23)/t12-,13+,15+/m0/s1
InChIKeyGHAGNOXIFXXSFO-GZBFAFLISA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-fluoro-2-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 110907403
N-[2-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
CID 60589532
5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 94646964
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
(2-chloro-5-fluoro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 113347117
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63765748
[3-(2-bromoethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299572
(3-ethylpiperidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 61377467
[3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299541
(4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706029
[3-(aminomethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone;hydrochloride
CID 119465078
(3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 97271544

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide (CID 95233166) is cis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide is CC[C@@H]1CCCN(C(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@@H]2C)C1.
What is the InChIKey of cis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is GHAGNOXIFXXSFO-GZBFAFLISA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-3-13-5-4-8-22(11-13)19(24)16-10-14(20)6-7-17(16)21-18(23)15-9-12(15)2/h6-7,10,12-13,15H,3-5,8-9,11H2,1-2H3,(H,21,23)/t12-,13+,15+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 332.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 95233166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).