2-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide

C18H26N4O2 — CID 135988320

IUPAC2-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCCC(c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C18H26N4O2/c1-4-8-22(9-5-2)18(24)13-21-10-6-7-15(12-21)16-11-17(23)20-14(3)19-16/h4-5,11,15H,1-2,6-10,12-13H2,3H3,(H,19,20,23)
InChIKeyGJJFPKKRMARETA-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.46
Rot. Bonds7

About 2-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide

2-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 135988320) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID135988320
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCCC(c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C18H26N4O2/c1-4-8-22(9-5-2)18(24)13-21-10-6-7-15(12-21)16-11-17(23)20-14(3)19-16/h4-5,11,15H,1-2,6-10,12-13H2,3H3,(H,19,20,23)
InChIKeyGJJFPKKRMARETA-UHFFFAOYSA-N
XLogP1.46
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-{2-[(S)-3-methyl-1-piperidyl]-2-oxoethyl}-6-propyl-4(3H)-pyrimidinone
CID 93477846
2-(3-methylbutyl)-6-(1-methylpiperidin-3-yl)pyrimidin-4(3H)-one
CID 135876481
2-Methyl-6-(piperidin-3-yl)pyrimidin-4-ol
CID 136072571
2-methyl-4-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 136483017
3a,4-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl(piperidin-1-yl)methanone
CID 163520888
3-(2-(3-methylpiperidin-1-yl)-2-oxoethyl)-6-propylpyrimidin-4(3H)-one
CID 45535151
1-(2-(6-oxo-4-propylpyrimidin-1(6H)-yl)acetyl)piperidine-4-carboxamide
CID 45535176
3-(2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl)-6-isopropylpyrimidin-4(3H)-one
CID 45535226
2-[[3-(Aminomethyl)piperidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 61800504
7-Amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83890210
9-Amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83890214
3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one
CID 93477847

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide (CID 135988320) is 2-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN1CCCC(c2cc(=O)[nH]c(C)n2)C1.
What is the InChIKey of 2-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is GJJFPKKRMARETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-8-22(9-5-2)18(24)13-21-10-6-7-15(12-21)16-11-17(23)20-14(3)19-16/h4-5,11,15H,1-2,6-10,12-13H2,3H3,(H,19,20,23).
What are the key properties of 2-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
2-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 330.43 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 135988320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).