1-(2,4-dioxo-3-pentyl-1H-quinazoline-7-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide

C25H35N5O4 — CID 15992919

IUPAC1-(2,4-dioxo-3-pentyl-1H-quinazoline-7-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCCCCCn1c(=O)[nH]c2cc(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)ccc2c1=O
InChIInChI=1S/C25H35N5O4/c1-2-3-5-14-30-22(32)19-9-8-18(17-20(19)27-24(30)34)21(31)28-15-10-25(11-16-28,23(26)33)29-12-6-4-7-13-29/h8-9,17H,2-7,10-16H2,1H3,(H2,26,33)(H,27,34)
InChIKeyZQHVSIRLPLWQNI-UHFFFAOYSA-N
MW469.59 g/mol
LogP1.83
Rot. Bonds7

About 1-(2,4-dioxo-3-pentyl-1H-quinazoline-7-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide

1-(2,4-dioxo-3-pentyl-1H-quinazoline-7-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 15992919) has the molecular formula C25H35N5O4 and a molecular weight of 469.59 g/mol. Its IUPAC name is 1-(2,4-dioxo-3-pentyl-1H-quinazoline-7-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dioxo-3-pentyl-1H-quinazoline-7-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID15992919
Molecular FormulaC25H35N5O4
Molecular Weight469.59 g/mol
Exact Mass469.27
IUPAC Name1-(2,4-dioxo-3-pentyl-1H-quinazoline-7-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCCCCCn1c(=O)[nH]c2cc(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)ccc2c1=O
InChIInChI=1S/C25H35N5O4/c1-2-3-5-14-30-22(32)19-9-8-18(17-20(19)27-24(30)34)21(31)28-15-10-25(11-16-28,23(26)33)29-12-6-4-7-13-29/h8-9,17H,2-7,10-16H2,1H3,(H2,26,33)(H,27,34)
InChIKeyZQHVSIRLPLWQNI-UHFFFAOYSA-N
XLogP1.83
TPSA121.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2,4-dioxo-3-pentyl-1H-quinazoline-7-carbonyl)-4-piperidin-1-ylpiperidine-4-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-(2,4-dioxo-3-pentyl-1H-quinazoline-7-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dioxo-3-pentyl-1H-quinazoline-7-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide (CID 15992919) is 1-(2,4-dioxo-3-pentyl-1H-quinazoline-7-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dioxo-3-pentyl-1H-quinazoline-7-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dioxo-3-pentyl-1H-quinazoline-7-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide is CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)ccc2c1=O.
What is the InChIKey of 1-(2,4-dioxo-3-pentyl-1H-quinazoline-7-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is ZQHVSIRLPLWQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O4/c1-2-3-5-14-30-22(32)19-9-8-18(17-20(19)27-24(30)34)21(31)28-15-10-25(11-16-28,23(26)33)29-12-6-4-7-13-29/h8-9,17H,2-7,10-16H2,1H3,(H2,26,33)(H,27,34).
What are the key properties of 1-(2,4-dioxo-3-pentyl-1H-quinazoline-7-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
1-(2,4-dioxo-3-pentyl-1H-quinazoline-7-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dioxo-3-pentyl-1H-quinazoline-7-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 15992919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).