N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide

C18H24N4O — CID 49431629

IUPACN-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C18H24N4O/c1-2-3-10-19-18(23)14-7-6-11-22(12-14)17-15-8-4-5-9-16(15)20-13-21-17/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3,(H,19,23)
InChIKeyIJTKNXWLEYEMAZ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.76
Rot. Bonds5

About N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide

N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide (PubChem CID 49431629) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide
PubChem CID49431629
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C18H24N4O/c1-2-3-10-19-18(23)14-7-6-11-22(12-14)17-15-8-4-5-9-16(15)20-13-21-17/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3,(H,19,23)
InChIKeyIJTKNXWLEYEMAZ-UHFFFAOYSA-N
XLogP2.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 110436254
N-(3-formamidopropyl)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 110436261
N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 133278233
1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326896
(3S)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 94184844
N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 47807499
N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62593559
N-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide
CID 50842301
(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92877305
(3R)-N-(cyclopropylmethyl)-1-(5-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 96566820
(3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050441
N-butyl-1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide
CID 49431600

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide?
The IUPAC name of N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide (CID 49431629) is N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide is CCCCNC(=O)C1CCCN(c2ncnc3ccccc23)C1.
What is the InChIKey of N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide?
The InChIKey is IJTKNXWLEYEMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-2-3-10-19-18(23)14-7-6-11-22(12-14)17-15-8-4-5-9-16(15)20-13-21-17/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3,(H,19,23).
What are the key properties of N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide?
N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 49431629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).