N-methyl-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

C20H32N4O3 — CID 56904431

IUPACN-methyl-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N(C)CC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C20H32N4O3/c1-15-16(18(26)22-19(27)21-15)13-17(25)23(2)14-20(9-5-3-6-10-20)24-11-7-4-8-12-24/h3-14H2,1-2H3,(H2,21,22,26,27)
InChIKeySJWLDIZFBWVWCY-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.56
Rot. Bonds5

About N-methyl-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

N-methyl-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (PubChem CID 56904431) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-methyl-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
PubChem CID56904431
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC NameN-methyl-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N(C)CC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C20H32N4O3/c1-15-16(18(26)22-19(27)21-15)13-17(25)23(2)14-20(9-5-3-6-10-20)24-11-7-4-8-12-24/h3-14H2,1-2H3,(H2,21,22,26,27)
InChIKeySJWLDIZFBWVWCY-UHFFFAOYSA-N
XLogP1.56
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The IUPAC name of N-methyl-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (CID 56904431) is N-methyl-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N(C)CC1(N2CCCCC2)CCCCC1.
What is the InChIKey of N-methyl-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The InChIKey is SJWLDIZFBWVWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-15-16(18(26)22-19(27)21-15)13-17(25)23(2)14-20(9-5-3-6-10-20)24-11-7-4-8-12-24/h3-14H2,1-2H3,(H2,21,22,26,27).
What are the key properties of N-methyl-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
N-methyl-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide has a molecular weight of 376.50 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 56904431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).