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

C19H31N5O3 — CID 53010396

IUPAC1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)NCCCN3CCCC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H31N5O3/c1-21-16(13-17(25)22(2)19(21)27)24-12-5-7-15(14-24)18(26)20-8-6-11-23-9-3-4-10-23/h13,15H,3-12,14H2,1-2H3,(H,20,26)
InChIKeyGJUJDSJXIFFCNE-UHFFFAOYSA-N
MW377.49 g/mol
LogP-0.10
Rot. Bonds6

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

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide (PubChem CID 53010396) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
PubChem CID53010396
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)NCCCN3CCCC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H31N5O3/c1-21-16(13-17(25)22(2)19(21)27)24-12-5-7-15(14-24)18(26)20-8-6-11-23-9-3-4-10-23/h13,15H,3-12,14H2,1-2H3,(H,20,26)
InChIKeyGJUJDSJXIFFCNE-UHFFFAOYSA-N
XLogP-0.10
TPSA79.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide (CID 53010396) is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide is Cn1c(N2CCCC(C(=O)NCCCN3CCCC3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide?
The InChIKey is GJUJDSJXIFFCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-21-16(13-17(25)22(2)19(21)27)24-12-5-7-15(14-24)18(26)20-8-6-11-23-9-3-4-10-23/h13,15H,3-12,14H2,1-2H3,(H,20,26).
What are the key properties of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide?
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of -0.10, 6 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-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 53010396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).