(3S)-1-quinazolin-4-ylpiperidine-3-carboxamide

C14H16N4O — CID 94184844

IUPAC(3S)-1-quinazolin-4-ylpiperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C14H16N4O/c15-13(19)10-4-3-7-18(8-10)14-11-5-1-2-6-12(11)16-9-17-14/h1-2,5-6,9-10H,3-4,7-8H2,(H2,15,19)/t10-/m0/s1
InChIKeyGBFXUIYKKMSHKG-JTQLQIEISA-N
MW256.31 g/mol
LogP1.33
Rot. Bonds2

About (3S)-1-quinazolin-4-ylpiperidine-3-carboxamide

(3S)-1-quinazolin-4-ylpiperidine-3-carboxamide (PubChem CID 94184844) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (3S)-1-quinazolin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-quinazolin-4-ylpiperidine-3-carboxamide
PubChem CID94184844
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(3S)-1-quinazolin-4-ylpiperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C14H16N4O/c15-13(19)10-4-3-7-18(8-10)14-11-5-1-2-6-12(11)16-9-17-14/h1-2,5-6,9-10H,3-4,7-8H2,(H2,15,19)/t10-/m0/s1
InChIKeyGBFXUIYKKMSHKG-JTQLQIEISA-N
XLogP1.33
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-quinazolin-4-ylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide
CID 94519630
N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 110436254
4-(3-chloropiperidin-1-yl)quinazoline
CID 55184238
1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326896
N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 49431629
4-(azepan-1-yl)quinazoline
CID 5207391
N-(3-formamidopropyl)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 110436261
4-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]quinazoline
CID 95155089
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)quinazoline
CID 49227812
1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide
CID 172899276
1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol
CID 133397903
1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide
CID 134210536

Frequently Asked Questions

What is the IUPAC name of (3S)-1-quinazolin-4-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-quinazolin-4-ylpiperidine-3-carboxamide (CID 94184844) is (3S)-1-quinazolin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-quinazolin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-quinazolin-4-ylpiperidine-3-carboxamide is NC(=O)[C@H]1CCCN(c2ncnc3ccccc23)C1.
What is the InChIKey of (3S)-1-quinazolin-4-ylpiperidine-3-carboxamide?
The InChIKey is GBFXUIYKKMSHKG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N4O/c15-13(19)10-4-3-7-18(8-10)14-11-5-1-2-6-12(11)16-9-17-14/h1-2,5-6,9-10H,3-4,7-8H2,(H2,15,19)/t10-/m0/s1.
What are the key properties of (3S)-1-quinazolin-4-ylpiperidine-3-carboxamide?
(3S)-1-quinazolin-4-ylpiperidine-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-quinazolin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 94184844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).