6-[1-(1-acetylpiperidine-4-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one

C16H22N4O3 — CID 110114838

IUPAC6-[1-(1-acetylpiperidine-4-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESCC(=O)N1CCC(C(=O)N2CCCC2c2ccnc(=O)[nH]2)CC1
InChIInChI=1S/C16H22N4O3/c1-11(21)19-9-5-12(6-10-19)15(22)20-8-2-3-14(20)13-4-7-17-16(23)18-13/h4,7,12,14H,2-3,5-6,8-10H2,1H3,(H,17,18,23)
InChIKeyVZXDODRSIUSAQS-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.69
Rot. Bonds2

About 6-[1-(1-acetylpiperidine-4-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one

6-[1-(1-acetylpiperidine-4-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one (PubChem CID 110114838) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-[1-(1-acetylpiperidine-4-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[1-(1-acetylpiperidine-4-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
PubChem CID110114838
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name6-[1-(1-acetylpiperidine-4-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESCC(=O)N1CCC(C(=O)N2CCCC2c2ccnc(=O)[nH]2)CC1
InChIInChI=1S/C16H22N4O3/c1-11(21)19-9-5-12(6-10-19)15(22)20-8-2-3-14(20)13-4-7-17-16(23)18-13/h4,7,12,14H,2-3,5-6,8-10H2,1H3,(H,17,18,23)
InChIKeyVZXDODRSIUSAQS-UHFFFAOYSA-N
XLogP0.69
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-acetylpiperidine-4-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[1-(1-acetylpiperidine-4-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one (CID 110114838) is 6-[1-(1-acetylpiperidine-4-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[1-(1-acetylpiperidine-4-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[1-(1-acetylpiperidine-4-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one is CC(=O)N1CCC(C(=O)N2CCCC2c2ccnc(=O)[nH]2)CC1.
What is the InChIKey of 6-[1-(1-acetylpiperidine-4-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The InChIKey is VZXDODRSIUSAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11(21)19-9-5-12(6-10-19)15(22)20-8-2-3-14(20)13-4-7-17-16(23)18-13/h4,7,12,14H,2-3,5-6,8-10H2,1H3,(H,17,18,23).
What are the key properties of 6-[1-(1-acetylpiperidine-4-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
6-[1-(1-acetylpiperidine-4-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one has a molecular weight of 318.38 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-acetylpiperidine-4-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 110114838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).