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

C18H29N5O3 — CID 53010394

IUPAC1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)NCCN3CCCC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H29N5O3/c1-20-15(12-16(24)21(2)18(20)26)23-10-5-6-14(13-23)17(25)19-7-11-22-8-3-4-9-22/h12,14H,3-11,13H2,1-2H3,(H,19,25)
InChIKeyAAUUWCLHAWIMMM-UHFFFAOYSA-N
MW363.46 g/mol
LogP-0.49
Rot. Bonds5

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

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (PubChem CID 53010394) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
PubChem CID53010394
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)NCCN3CCCC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H29N5O3/c1-20-15(12-16(24)21(2)18(20)26)23-10-5-6-14(13-23)17(25)19-7-11-22-8-3-4-9-22/h12,14H,3-11,13H2,1-2H3,(H,19,25)
InChIKeyAAUUWCLHAWIMMM-UHFFFAOYSA-N
XLogP-0.49
TPSA79.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (CID 53010394) is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is Cn1c(N2CCCC(C(=O)NCCN3CCCC3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is AAUUWCLHAWIMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-20-15(12-16(24)21(2)18(20)26)23-10-5-6-14(13-23)17(25)19-7-11-22-8-3-4-9-22/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-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 53010394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).