5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one

C11H15N3O2 — CID 110856154

IUPAC5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCC1CCCN(C(=O)c2cnc[nH]c2=O)C1
InChIInChI=1S/C11H15N3O2/c1-8-3-2-4-14(6-8)11(16)9-5-12-7-13-10(9)15/h5,7-8H,2-4,6H2,1H3,(H,12,13,15)
InChIKeyICNNCIFLGHHAKM-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.64
Rot. Bonds1

About 5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one

5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 110856154) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID110856154
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCC1CCCN(C(=O)c2cnc[nH]c2=O)C1
InChIInChI=1S/C11H15N3O2/c1-8-3-2-4-14(6-8)11(16)9-5-12-7-13-10(9)15/h5,7-8H,2-4,6H2,1H3,(H,12,13,15)
InChIKeyICNNCIFLGHHAKM-UHFFFAOYSA-N
XLogP0.64
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-4-hydroxypyrimidine-5-carboxamide
CID 132227790
5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 18935581
N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080908
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 146193144
N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 56710793
3-[(Piperidin-3-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 63769705
5-Iodo-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 66309508
3-(Aminomethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83878480
3-(Aminomethyl)-9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83878482
3-Methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one
CID 83890531
6-oxo-N-(1-propylpiperidin-4-yl)-1,6-dihydropyrimidine-5-carboxamide
CID 91769883
N-(1-cyclopentylpiperidin-4-yl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91771766

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one (CID 110856154) is 5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one is CC1CCCN(C(=O)c2cnc[nH]c2=O)C1.
What is the InChIKey of 5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is ICNNCIFLGHHAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-3-2-4-14(6-8)11(16)9-5-12-7-13-10(9)15/h5,7-8H,2-4,6H2,1H3,(H,12,13,15).
What are the key properties of 5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 221.26 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 110856154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).