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

C17H26N4O — CID 71836087

IUPAC2-piperidin-1-yl-N-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCC(C)NC(=O)C1CCc2nc(N3CCCCC3)ncc2C1
InChIInChI=1S/C17H26N4O/c1-12(2)19-16(22)13-6-7-15-14(10-13)11-18-17(20-15)21-8-4-3-5-9-21/h11-13H,3-10H2,1-2H3,(H,19,22)
InChIKeyHCOBFKGMNYLEJG-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.10
Rot. Bonds3

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

2-piperidin-1-yl-N-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 71836087) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound Name2-piperidin-1-yl-N-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID71836087
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-piperidin-1-yl-N-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCC(C)NC(=O)C1CCc2nc(N3CCCCC3)ncc2C1
InChIInChI=1S/C17H26N4O/c1-12(2)19-16(22)13-6-7-15-14(10-13)11-18-17(20-15)21-8-4-3-5-9-21/h11-13H,3-10H2,1-2H3,(H,19,22)
InChIKeyHCOBFKGMNYLEJG-UHFFFAOYSA-N
XLogP2.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of 2-piperidin-1-yl-N-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 71836087) is 2-piperidin-1-yl-N-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for 2-piperidin-1-yl-N-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for 2-piperidin-1-yl-N-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is CC(C)NC(=O)C1CCc2nc(N3CCCCC3)ncc2C1.
What is the InChIKey of 2-piperidin-1-yl-N-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is HCOBFKGMNYLEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-12(2)19-16(22)13-6-7-15-14(10-13)11-18-17(20-15)21-8-4-3-5-9-21/h11-13H,3-10H2,1-2H3,(H,19,22).
What are the key properties of 2-piperidin-1-yl-N-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
2-piperidin-1-yl-N-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.10, 3 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-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 71836087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).