N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide

C17H23FN2O2 — CID 110904323

IUPACN-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1
InChIInChI=1S/C17H23FN2O2/c1-11-8-14(11)17(22)19-10-12-2-3-16(15(18)9-12)20-6-4-13(21)5-7-20/h2-3,9,11,13-14,21H,4-8,10H2,1H3,(H,19,22)
InChIKeyJKYMNGAKYWRUTL-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.06
Rot. Bonds4

About N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide

N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 110904323) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
PubChem CID110904323
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1
InChIInChI=1S/C17H23FN2O2/c1-11-8-14(11)17(22)19-10-12-2-3-16(15(18)9-12)20-6-4-13(21)5-7-20/h2-3,9,11,13-14,21H,4-8,10H2,1H3,(H,19,22)
InChIKeyJKYMNGAKYWRUTL-UHFFFAOYSA-N
XLogP2.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 124690541
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea
CID 110929833
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-nitrocyclopropane-1-carboxamide
CID 71886355
trans-(1R,2R)-2-(3-chlorophenyl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
CID 95764847
1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea
CID 110922120
1-butyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]urea
CID 110900135
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea
CID 109397854
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-pent-3-enylurea
CID 111336700
3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide
CID 111458172
2-cyclopentyl-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 87036335
N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide
CID 68873168
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60579554

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide (CID 110904323) is N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is JKYMNGAKYWRUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-11-8-14(11)17(22)19-10-12-2-3-16(15(18)9-12)20-6-4-13(21)5-7-20/h2-3,9,11,13-14,21H,4-8,10H2,1H3,(H,19,22).
What are the key properties of N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide?
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 110904323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).