1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide

C18H29N5O4 — CID 53010388

IUPAC1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)NCCN3CCOCC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H29N5O4/c1-20-15(12-16(24)21(2)18(20)26)23-6-3-4-14(13-23)17(25)19-5-7-22-8-10-27-11-9-22/h12,14H,3-11,13H2,1-2H3,(H,19,25)
InChIKeyQDMWAHKVPOHNEZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP-1.25
Rot. Bonds5

About 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide (PubChem CID 53010388) has the molecular formula C18H29N5O4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
PubChem CID53010388
Molecular FormulaC18H29N5O4
Molecular Weight379.46 g/mol
Exact Mass379.22
IUPAC Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)NCCN3CCOCC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H29N5O4/c1-20-15(12-16(24)21(2)18(20)26)23-6-3-4-14(13-23)17(25)19-5-7-22-8-10-27-11-9-22/h12,14H,3-11,13H2,1-2H3,(H,19,25)
InChIKeyQDMWAHKVPOHNEZ-UHFFFAOYSA-N
XLogP-1.25
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)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-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide (CID 53010388) is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide is Cn1c(N2CCCC(C(=O)NCCN3CCOCC3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The InChIKey is QDMWAHKVPOHNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O4/c1-20-15(12-16(24)21(2)18(20)26)23-6-3-4-14(13-23)17(25)19-5-7-22-8-10-27-11-9-22/h12,14H,3-11,13H2,1-2H3,(H,19,25).
What are the key properties of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of -1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 53010388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).