(2R)-N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)propanamide

C24H34FN3O2 — CID 95853093

IUPAC(2R)-N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)propanamide
SMILESC[C@H](C(=O)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1)N1CCCC1=O
InChIInChI=1S/C24H34FN3O2/c1-18(28-13-5-8-22(28)29)23(30)26-21-9-14-27(15-10-21)17-24(11-2-3-12-24)19-6-4-7-20(25)16-19/h4,6-7,16,18,21H,2-3,5,8-15,17H2,1H3,(H,26,30)/t18-/m1/s1
InChIKeyBKBXFFHRWDGOJJ-GOSISDBHSA-N
MW415.55 g/mol
LogP3.23
Rot. Bonds6

About (2R)-N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)propanamide

(2R)-N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 95853093) has the molecular formula C24H34FN3O2 and a molecular weight of 415.55 g/mol. Its IUPAC name is (2R)-N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)propanamide
PubChem CID95853093
Molecular FormulaC24H34FN3O2
Molecular Weight415.55 g/mol
Exact Mass415.26
IUPAC Name(2R)-N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)propanamide
SMILESC[C@H](C(=O)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1)N1CCCC1=O
InChIInChI=1S/C24H34FN3O2/c1-18(28-13-5-8-22(28)29)23(30)26-21-9-14-27(15-10-21)17-24(11-2-3-12-24)19-6-4-7-20(25)16-19/h4,6-7,16,18,21H,2-3,5,8-15,17H2,1H3,(H,26,30)/t18-/m1/s1
InChIKeyBKBXFFHRWDGOJJ-GOSISDBHSA-N
XLogP3.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.55
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of (2R)-N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)propanamide (CID 95853093) is (2R)-N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for (2R)-N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)propanamide is C[C@H](C(=O)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1)N1CCCC1=O.
What is the InChIKey of (2R)-N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is BKBXFFHRWDGOJJ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H34FN3O2/c1-18(28-13-5-8-22(28)29)23(30)26-21-9-14-27(15-10-21)17-24(11-2-3-12-24)19-6-4-7-20(25)16-19/h4,6-7,16,18,21H,2-3,5,8-15,17H2,1H3,(H,26,30)/t18-/m1/s1.
What are the key properties of (2R)-N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)propanamide?
(2R)-N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 415.55 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 95853093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).