4,6-dimethyl-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-3,4-dihydro-1H-pyrimidin-2-one

C18H28N4O3 — CID 56713870

IUPAC4,6-dimethyl-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)N2CCC(CCN3CCCC3=O)CC2)C(C)NC(=O)N1
InChIInChI=1S/C18H28N4O3/c1-12-16(13(2)20-18(25)19-12)17(24)22-10-6-14(7-11-22)5-9-21-8-3-4-15(21)23/h12,14H,3-11H2,1-2H3,(H2,19,20,25)
InChIKeyPKVKEIQJXFSWLX-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.21
Rot. Bonds4

About 4,6-dimethyl-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-3,4-dihydro-1H-pyrimidin-2-one

4,6-dimethyl-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 56713870) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4,6-dimethyl-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID56713870
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name4,6-dimethyl-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)N2CCC(CCN3CCCC3=O)CC2)C(C)NC(=O)N1
InChIInChI=1S/C18H28N4O3/c1-12-16(13(2)20-18(25)19-12)17(24)22-10-6-14(7-11-22)5-9-21-8-3-4-15(21)23/h12,14H,3-11H2,1-2H3,(H2,19,20,25)
InChIKeyPKVKEIQJXFSWLX-UHFFFAOYSA-N
XLogP1.21
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-3,4-dihydro-1H-pyrimidin-2-one (CID 56713870) is 4,6-dimethyl-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(C(=O)N2CCC(CCN3CCCC3=O)CC2)C(C)NC(=O)N1.
What is the InChIKey of 4,6-dimethyl-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is PKVKEIQJXFSWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-12-16(13(2)20-18(25)19-12)17(24)22-10-6-14(7-11-22)5-9-21-8-3-4-15(21)23/h12,14H,3-11H2,1-2H3,(H2,19,20,25).
What are the key properties of 4,6-dimethyl-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-3,4-dihydro-1H-pyrimidin-2-one?
4,6-dimethyl-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 348.45 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 56713870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).