1-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperidine-4-carboxamide

C17H20N4O3 — CID 135462119

IUPAC1-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C17H20N4O3/c18-16(23)11-7-9-21(10-8-11)15(22)6-5-14-19-13-4-2-1-3-12(13)17(24)20-14/h1-4,11H,5-10H2,(H2,18,23)(H,19,20,24)
InChIKeyLWSPTTXDACSZCA-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.58
Rot. Bonds4

About 1-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperidine-4-carboxamide

1-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperidine-4-carboxamide (PubChem CID 135462119) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperidine-4-carboxamide
PubChem CID135462119
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C17H20N4O3/c18-16(23)11-7-9-21(10-8-11)15(22)6-5-14-19-13-4-2-1-3-12(13)17(24)20-14/h1-4,11H,5-10H2,(H2,18,23)(H,19,20,24)
InChIKeyLWSPTTXDACSZCA-UHFFFAOYSA-N
XLogP0.58
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperidine-4-carboxamide (CID 135462119) is 1-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of 1-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperidine-4-carboxamide?
The InChIKey is LWSPTTXDACSZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c18-16(23)11-7-9-21(10-8-11)15(22)6-5-14-19-13-4-2-1-3-12(13)17(24)20-14/h1-4,11H,5-10H2,(H2,18,23)(H,19,20,24).
What are the key properties of 1-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperidine-4-carboxamide?
1-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperidine-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 135462119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).