1-acetyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-2-carboxamide

C16H24N4O3 — CID 118792053

IUPAC1-acetyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-2-carboxamide
SMILESCC(=O)N1CCCCC1C(=O)NCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C16H24N4O3/c1-11-10-12(2)19(16(23)18-11)9-7-17-15(22)14-6-4-5-8-20(14)13(3)21/h10,14H,4-9H2,1-3H3,(H,17,22)
InChIKeyHVUNMZQNUGNZIF-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.38
Rot. Bonds4

About 1-acetyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-2-carboxamide

1-acetyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-2-carboxamide (PubChem CID 118792053) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-acetyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-2-carboxamide
PubChem CID118792053
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-acetyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-2-carboxamide
SMILESCC(=O)N1CCCCC1C(=O)NCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C16H24N4O3/c1-11-10-12(2)19(16(23)18-11)9-7-17-15(22)14-6-4-5-8-20(14)13(3)21/h10,14H,4-9H2,1-3H3,(H,17,22)
InChIKeyHVUNMZQNUGNZIF-UHFFFAOYSA-N
XLogP0.38
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-2-carboxamide (CID 118792053) is 1-acetyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-2-carboxamide is CC(=O)N1CCCCC1C(=O)NCCn1c(C)cc(C)nc1=O.
What is the InChIKey of 1-acetyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is HVUNMZQNUGNZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11-10-12(2)19(16(23)18-11)9-7-17-15(22)14-6-4-5-8-20(14)13(3)21/h10,14H,4-9H2,1-3H3,(H,17,22).
What are the key properties of 1-acetyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-2-carboxamide?
1-acetyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 118792053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).