4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one

C16H24N4O2 — CID 136557612

IUPAC4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC1CCN(C(=O)C2CCN(c3cc(=O)[nH]cn3)CC2)CC1
InChIInChI=1S/C16H24N4O2/c1-12-2-6-20(7-3-12)16(22)13-4-8-19(9-5-13)14-10-15(21)18-11-17-14/h10-13H,2-9H2,1H3,(H,17,18,21)
InChIKeyXPHAJTUEMNPHSS-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.24
Rot. Bonds2

About 4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one

4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136557612) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136557612
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC1CCN(C(=O)C2CCN(c3cc(=O)[nH]cn3)CC2)CC1
InChIInChI=1S/C16H24N4O2/c1-12-2-6-20(7-3-12)16(22)13-4-8-19(9-5-13)14-10-15(21)18-11-17-14/h10-13H,2-9H2,1H3,(H,17,18,21)
InChIKeyXPHAJTUEMNPHSS-UHFFFAOYSA-N
XLogP1.24
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}-2,2-dimethylpropanamide
CID 165431797
N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}acetamide
CID 165431804
6-{4-[2-(4,4-Difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl}-3-methyl-3,4-dihydropyrimidin-4-one
CID 171992922
N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}cyclopropanecarboxamide
CID 175648121
N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]acetamide
CID 175648253
2-amino-6-{4-[(1-isopropyl-4-piperidinyl)acetyl]-1-piperazinyl}-4(3H)-pyrimidinone
CID 136226567
tert-butyl 4-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 136160753
4-(4-piperidin-4-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136205542
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 46381325
3-({1-[(6-Oxopiperidin-3-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944989
5-methyl-2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 132312837
2-amino-6-{4-[(1-isopropyl-4-piperidinyl)carbonyl]-1-piperazinyl}-4(3H)-pyrimidinone
CID 136231800

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136557612) is 4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one is CC1CCN(C(=O)C2CCN(c3cc(=O)[nH]cn3)CC2)CC1.
What is the InChIKey of 4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is XPHAJTUEMNPHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-2-6-20(7-3-12)16(22)13-4-8-19(9-5-13)14-10-15(21)18-11-17-14/h10-13H,2-9H2,1H3,(H,17,18,21).
What are the key properties of 4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one?
4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 304.39 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136557612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).