N-[4-fluoro-2-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide

C17H21FN2O3 — CID 110907403

IUPACN-[4-fluoro-2-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(F)cc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C17H21FN2O3/c1-10-7-13(10)16(22)19-15-5-4-11(18)8-14(15)17(23)20-6-2-3-12(21)9-20/h4-5,8,10,12-13,21H,2-3,6-7,9H2,1H3,(H,19,22)
InChIKeyYXRDSBUVRUDBQB-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.02
Rot. Bonds3

About N-[4-fluoro-2-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide

N-[4-fluoro-2-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 110907403) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[4-fluoro-2-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID110907403
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC NameN-[4-fluoro-2-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(F)cc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C17H21FN2O3/c1-10-7-13(10)16(22)19-15-5-4-11(18)8-14(15)17(23)20-6-2-3-12(21)9-20/h4-5,8,10,12-13,21H,2-3,6-7,9H2,1H3,(H,19,22)
InChIKeyYXRDSBUVRUDBQB-UHFFFAOYSA-N
XLogP2.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
CID 95233166
N-[2-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
CID 60589532
(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 79883095
5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 94646964
(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 68625081
(2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 93032513
4-fluoro-2-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439185
N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 71979004
N-[3-(3-hydroxypiperidine-1-carbonyl)naphthalen-2-yl]cyclopropanecarboxamide
CID 110880058
cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide
CID 841868
cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 7777713
5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 110907395

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-fluoro-2-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide (CID 110907403) is N-[4-fluoro-2-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-fluoro-2-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1ccc(F)cc1C(=O)N1CCCC(O)C1.
What is the InChIKey of N-[4-fluoro-2-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is YXRDSBUVRUDBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-10-7-13(10)16(22)19-15-5-4-11(18)8-14(15)17(23)20-6-2-3-12(21)9-20/h4-5,8,10,12-13,21H,2-3,6-7,9H2,1H3,(H,19,22).
What are the key properties of N-[4-fluoro-2-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide?
N-[4-fluoro-2-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 110907403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).