2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C23H36N4O2 — CID 60505493

IUPAC2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCCCCN(C)CC1CCN(CC(=O)Nc2cccc(N3CCCC3=O)c2)CC1
InChIInChI=1S/C23H36N4O2/c1-3-4-12-25(2)17-19-10-14-26(15-11-19)18-22(28)24-20-7-5-8-21(16-20)27-13-6-9-23(27)29/h5,7-8,16,19H,3-4,6,9-15,17-18H2,1-2H3,(H,24,28)
InChIKeyOIIFWINFWOYVLB-UHFFFAOYSA-N
MW400.57 g/mol
LogP3.20
Rot. Bonds9

About 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 60505493) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID60505493
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCCCCN(C)CC1CCN(CC(=O)Nc2cccc(N3CCCC3=O)c2)CC1
InChIInChI=1S/C23H36N4O2/c1-3-4-12-25(2)17-19-10-14-26(15-11-19)18-22(28)24-20-7-5-8-21(16-20)27-13-6-9-23(27)29/h5,7-8,16,19H,3-4,6,9-15,17-18H2,1-2H3,(H,24,28)
InChIKeyOIIFWINFWOYVLB-UHFFFAOYSA-N
XLogP3.20
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(4-methylcyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51286691
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55699414
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36680308
2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41336235
1-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid
CID 119909551
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 51313660
2-[cyclopropyl(3-methylbutyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 34412666
2-(2-methyl-2,3-dihydroindol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46657873
4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride
CID 119692821
2-cyclohexylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 134042025
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36947132
2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide
CID 32756509

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 60505493) is 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CCCCN(C)CC1CCN(CC(=O)Nc2cccc(N3CCCC3=O)c2)CC1.
What is the InChIKey of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is OIIFWINFWOYVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-3-4-12-25(2)17-19-10-14-26(15-11-19)18-22(28)24-20-7-5-8-21(16-20)27-13-6-9-23(27)29/h5,7-8,16,19H,3-4,6,9-15,17-18H2,1-2H3,(H,24,28).
What are the key properties of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 400.57 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 60505493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).