5-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one

C17H24N4O3 — CID 56872069

IUPAC5-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(C(=O)N2CCC(N3CCCC3=O)CC2)c(=O)[nH]1
InChIInChI=1S/C17H24N4O3/c1-11(2)15-18-10-13(16(23)19-15)17(24)20-8-5-12(6-9-20)21-7-3-4-14(21)22/h10-12H,3-9H2,1-2H3,(H,18,19,23)
InChIKeyZBEWCMGAHIEQPO-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.12
Rot. Bonds3

About 5-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one

5-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 56872069) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID56872069
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name5-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(C(=O)N2CCC(N3CCCC3=O)CC2)c(=O)[nH]1
InChIInChI=1S/C17H24N4O3/c1-11(2)15-18-10-13(16(23)19-15)17(24)20-8-5-12(6-9-20)21-7-3-4-14(21)22/h10-12H,3-9H2,1-2H3,(H,18,19,23)
InChIKeyZBEWCMGAHIEQPO-UHFFFAOYSA-N
XLogP1.12
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(2-oxo-2-{2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-4(3H)-pyrimidinone
CID 70711114
1,6-Dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 214583
2-[(2-Isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 56751707
2-isopropyl-5-{[2-(1-pyrrolidinylcarbonyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56898809
2-[(4-Hydroxy-2-methylpyrimidin-5-yl)carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72874914
6-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxamide
CID 20438535
5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one
CID 169149103
1,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 20438529
N-[(1-isobutylpyrrolidin-3-yl)methyl]-2-isopropyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 56710372
(4R)-4-amino-N,N-diethyl-1-[(2-isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-L-prolinamide
CID 56713154
(4S)-4-amino-N,N-diethyl-1-[(2-isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-L-prolinamide
CID 56721658
N-[rel-(1R,3R)-3-aminocyclopentyl]-2-isopropyl-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide hydrochloride
CID 56749058

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 56872069) is 5-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1ncc(C(=O)N2CCC(N3CCCC3=O)CC2)c(=O)[nH]1.
What is the InChIKey of 5-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ZBEWCMGAHIEQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11(2)15-18-10-13(16(23)19-15)17(24)20-8-5-12(6-9-20)21-7-3-4-14(21)22/h10-12H,3-9H2,1-2H3,(H,18,19,23).
What are the key properties of 5-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
5-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 332.40 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 56872069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).