1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide

C17H27N5O3 — CID 46993557

IUPAC1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide
SMILESCc1cc(C)n(CCC(=O)NCCN2CCCC(C(N)=O)C2)c(=O)n1
InChIInChI=1S/C17H27N5O3/c1-12-10-13(2)22(17(25)20-12)8-5-15(23)19-6-9-21-7-3-4-14(11-21)16(18)24/h10,14H,3-9,11H2,1-2H3,(H2,18,24)(H,19,23)
InChIKeyUYFZWMRLHMKOQJ-UHFFFAOYSA-N
MW349.44 g/mol
LogP-0.44
Rot. Bonds7

About 1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide

1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide (PubChem CID 46993557) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide
PubChem CID46993557
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide
SMILESCc1cc(C)n(CCC(=O)NCCN2CCCC(C(N)=O)C2)c(=O)n1
InChIInChI=1S/C17H27N5O3/c1-12-10-13(2)22(17(25)20-12)8-5-15(23)19-6-9-21-7-3-4-14(11-21)16(18)24/h10,14H,3-9,11H2,1-2H3,(H2,18,24)(H,19,23)
InChIKeyUYFZWMRLHMKOQJ-UHFFFAOYSA-N
XLogP-0.44
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide 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 1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide (CID 46993557) is 1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide is Cc1cc(C)n(CCC(=O)NCCN2CCCC(C(N)=O)C2)c(=O)n1.
What is the InChIKey of 1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide?
The InChIKey is UYFZWMRLHMKOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-12-10-13(2)22(17(25)20-12)8-5-15(23)19-6-9-21-7-3-4-14(11-21)16(18)24/h10,14H,3-9,11H2,1-2H3,(H2,18,24)(H,19,23).
What are the key properties of 1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide?
1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of -0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 46993557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).