4-(3-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

C14H21N3O2 — CID 136973285

IUPAC4-(3-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(=O)C1CCCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C14H21N3O2/c1-9(2)14-15-12(7-13(19)16-14)17-6-4-5-11(8-17)10(3)18/h7,9,11H,4-6,8H2,1-3H3,(H,15,16,19)
InChIKeyQDPHWIKJEXQKSF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.70
Rot. Bonds3

About 4-(3-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(3-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136973285) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(3-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136973285
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-(3-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(=O)C1CCCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C14H21N3O2/c1-9(2)14-15-12(7-13(19)16-14)17-6-4-5-11(8-17)10(3)18/h7,9,11H,4-6,8H2,1-3H3,(H,15,16,19)
InChIKeyQDPHWIKJEXQKSF-UHFFFAOYSA-N
XLogP1.70
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 136216738
N-ethyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 139019818
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-3-(1-methyl-3-piperidinyl)propanamide
CID 136233477
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-1-isopropyl-3-piperidinecarboxamide
CID 136249179
4-(dimethylamino)-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136345065
N-[2-(4-Amino-6-hydroxypyrimidin-2-YL)ethyl]-1-methylpiperidine-3-carboxamide
CID 136662234
N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136687971
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687973
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687976
N-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136687977
2-methyl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731875
2-cyclopropyl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731877

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136973285) is 4-(3-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(=O)C1CCCN(c2cc(=O)[nH]c(C(C)C)n2)C1.
What is the InChIKey of 4-(3-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is QDPHWIKJEXQKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)14-15-12(7-13(19)16-14)17-6-4-5-11(8-17)10(3)18/h7,9,11H,4-6,8H2,1-3H3,(H,15,16,19).
What are the key properties of 4-(3-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136973285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).