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

C22H32FN3O2 — CID 87036335

IUPAC2-cyclopentyl-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCCC1C1CCCC1
InChIInChI=1S/C22H32FN3O2/c23-19-14-16(7-8-21(19)25-12-9-18(27)10-13-25)15-24-22(28)26-11-3-6-20(26)17-4-1-2-5-17/h7-8,14,17-18,20,27H,1-6,9-13,15H2,(H,24,28)
InChIKeyLLNZQAQCFMVFLV-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.65
Rot. Bonds4

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

2-cyclopentyl-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 87036335) has the molecular formula C22H32FN3O2 and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
PubChem CID87036335
Molecular FormulaC22H32FN3O2
Molecular Weight389.52 g/mol
Exact Mass389.25
IUPAC Name2-cyclopentyl-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCCC1C1CCCC1
InChIInChI=1S/C22H32FN3O2/c23-19-14-16(7-8-21(19)25-12-9-18(27)10-13-25)15-24-22(28)26-11-3-6-20(26)17-4-1-2-5-17/h7-8,14,17-18,20,27H,1-6,9-13,15H2,(H,24,28)
InChIKeyLLNZQAQCFMVFLV-UHFFFAOYSA-N
XLogP3.65
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea
CID 110922120
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-4-phenyl-1,4-diazepane-1-carboxamide
CID 91641732
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 110904323
2-cyclopentyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]pyrrolidine-1-carboxamide
CID 146105715
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-(2-methylcyclopropyl)urea
CID 110929833
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-pent-3-enylurea
CID 111336700
(2S,3aS,7aS)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-(naphthalene-2-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 166373925
(2R)-1-[(3,4-difluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922690
4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 122019573
3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide
CID 111458172

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-cyclopentyl-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide (CID 87036335) is 2-cyclopentyl-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide is O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCCC1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is LLNZQAQCFMVFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O2/c23-19-14-16(7-8-21(19)25-12-9-18(27)10-13-25)15-24-22(28)26-11-3-6-20(26)17-4-1-2-5-17/h7-8,14,17-18,20,27H,1-6,9-13,15H2,(H,24,28).
What are the key properties of 2-cyclopentyl-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
2-cyclopentyl-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 87036335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).