N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C19H30N4O3 — CID 56892643

IUPACN-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)NC2CCCN(CC3CCCCC3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C19H30N4O3/c1-14-10-23(19(26)21-18(14)25)13-17(24)20-16-8-5-9-22(12-16)11-15-6-3-2-4-7-15/h10,15-16H,2-9,11-13H2,1H3,(H,20,24)(H,21,25,26)
InChIKeyLJPLXOIEWHHTOD-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.01
Rot. Bonds5

About N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 56892643) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID56892643
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)NC2CCCN(CC3CCCCC3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C19H30N4O3/c1-14-10-23(19(26)21-18(14)25)13-17(24)20-16-8-5-9-22(12-16)11-15-6-3-2-4-7-15/h10,15-16H,2-9,11-13H2,1H3,(H,20,24)(H,21,25,26)
InChIKeyLJPLXOIEWHHTOD-UHFFFAOYSA-N
XLogP1.01
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 56892643) is N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is Cc1cn(CC(=O)NC2CCCN(CC3CCCCC3)C2)c(=O)[nH]c1=O.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is LJPLXOIEWHHTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-14-10-23(19(26)21-18(14)25)13-17(24)20-16-8-5-9-22(12-16)11-15-6-3-2-4-7-15/h10,15-16H,2-9,11-13H2,1H3,(H,20,24)(H,21,25,26).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 362.47 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 56892643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).