2-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-N-propan-2-ylpyrrolidine-1-carboxamide

C18H30N4O3 — CID 134798361

IUPAC2-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC1C(=O)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C18H30N4O3/c1-13(2)19-18(25)22-10-3-5-15(22)17(24)20-11-7-14(8-12-20)21-9-4-6-16(21)23/h13-15H,3-12H2,1-2H3,(H,19,25)
InChIKeyCGLOFZWRVINZNG-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.18
Rot. Bonds3

About 2-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-N-propan-2-ylpyrrolidine-1-carboxamide

2-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 134798361) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID134798361
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name2-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC1C(=O)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C18H30N4O3/c1-13(2)19-18(25)22-10-3-5-15(22)17(24)20-11-7-14(8-12-20)21-9-4-6-16(21)23/h13-15H,3-12H2,1-2H3,(H,19,25)
InChIKeyCGLOFZWRVINZNG-UHFFFAOYSA-N
XLogP1.18
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-2-Oxo-3-[[(2S)-2-Pyrrolidinylcarbonyl]amino]-1-pyrrolidineacetamide
CID 44281634
Pyrrolidine-1,2-dicarboxylic acid 2-butylamide 1-cyclohexylamide
CID 3221232
(2S)-1-[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxamide
CID 44563962
L-Prolinamide, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-norvalyl-, (S)-, hemihydrate
CID 3080380
(4S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide
CID 44307669
N-[(3S)-1-(2-amino-2-oxoethyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 44322196
L-Prolyl-L-prolyl-L-alaninamide
CID 44563946
2-Isobutyl-8-[(2-oxoimidazolidin-4-yl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72917943
2-oxo-N-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493805
1-Methyl-1-(1-methylpyrrolidin-3-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 172435645
3-(N-prolylamine)-2-oxo-1-pyrrolidineacetamide
CID 129409
Cyclo(glycyl-prolyl-glycyl-alanyl-prolyl)
CID 124201523

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of 2-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-N-propan-2-ylpyrrolidine-1-carboxamide (CID 134798361) is 2-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-N-propan-2-ylpyrrolidine-1-carboxamide is CC(C)NC(=O)N1CCCC1C(=O)N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 2-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is CGLOFZWRVINZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-13(2)19-18(25)22-10-3-5-15(22)17(24)20-11-7-14(8-12-20)21-9-4-6-16(21)23/h13-15H,3-12H2,1-2H3,(H,19,25).
What are the key properties of 2-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-N-propan-2-ylpyrrolidine-1-carboxamide?
2-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 134798361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).