2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

C19H30N4O3 — CID 56889558

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESCN(CC1(N2CCCCC2)CCCCC1)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C19H30N4O3/c1-21(17(25)14-22-13-8-16(24)20-18(22)26)15-19(9-4-2-5-10-19)23-11-6-3-7-12-23/h8,13H,2-7,9-12,14-15H2,1H3,(H,20,24,26)
InChIKeyNJTJVQNWTBZZFB-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.18
Rot. Bonds5

About 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (PubChem CID 56889558) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
PubChem CID56889558
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESCN(CC1(N2CCCCC2)CCCCC1)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C19H30N4O3/c1-21(17(25)14-22-13-8-16(24)20-18(22)26)15-19(9-4-2-5-10-19)23-11-6-3-7-12-23/h8,13H,2-7,9-12,14-15H2,1H3,(H,20,24,26)
InChIKeyNJTJVQNWTBZZFB-UHFFFAOYSA-N
XLogP1.18
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide with MolForge

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Related Compounds

1-[2-(4-Methylpiperidin-1-YL)-2-oxoethyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 26643718
1-[2-[(4aS,9aS)-4a,5-dimethyl-2,3,4,6,7,8,9,9a-octahydropyrido[3,2-b]azepin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 155901236
N-(cyclohexylmethyl)-2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 36479304
1-(2-{4-[1-(4-methyl-1-piperazinyl)ethyl]-1-piperidinyl}-2-oxoethyl)-2,4(1H,3H)-pyrimidinedione
CID 70767797
6-(3-amino-3-methylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
CID 141182438
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 9489540
1-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 9489541
1-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 9489542
1-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 9489543
1-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 9489826
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 9489827
1-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 9489828

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (CID 56889558) is 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is CN(CC1(N2CCCCC2)CCCCC1)C(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The InChIKey is NJTJVQNWTBZZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-21(17(25)14-22-13-8-16(24)20-18(22)26)15-19(9-4-2-5-10-19)23-11-6-3-7-12-23/h8,13H,2-7,9-12,14-15H2,1H3,(H,20,24,26).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide has a molecular weight of 362.47 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 56889558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).