2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C17H26N4O — CID 71836110

IUPAC2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCCNC(=O)C1CCc2nc(N3CCCCC3)ncc2C1
InChIInChI=1S/C17H26N4O/c1-2-8-18-16(22)13-6-7-15-14(11-13)12-19-17(20-15)21-9-4-3-5-10-21/h12-13H,2-11H2,1H3,(H,18,22)
InChIKeyQJRFEGACPFEWOF-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.10
Rot. Bonds4

About 2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 71836110) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound Name2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID71836110
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCCNC(=O)C1CCc2nc(N3CCCCC3)ncc2C1
InChIInChI=1S/C17H26N4O/c1-2-8-18-16(22)13-6-7-15-14(11-13)12-19-17(20-15)21-9-4-3-5-10-21/h12-13H,2-11H2,1H3,(H,18,22)
InChIKeyQJRFEGACPFEWOF-UHFFFAOYSA-N
XLogP2.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-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 2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of 2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 71836110) is 2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for 2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for 2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is CCCNC(=O)C1CCc2nc(N3CCCCC3)ncc2C1.
What is the InChIKey of 2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is QJRFEGACPFEWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-2-8-18-16(22)13-6-7-15-14(11-13)12-19-17(20-15)21-9-4-3-5-10-21/h12-13H,2-11H2,1H3,(H,18,22).
What are the key properties of 2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 71836110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).