N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide

C19H26N4O — CID 133278233

IUPACN-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(c2ncnc3ccc(C)cc23)C1
InChIInChI=1S/C19H26N4O/c1-3-4-9-20-19(24)15-6-5-10-23(12-15)18-16-11-14(2)7-8-17(16)21-13-22-18/h7-8,11,13,15H,3-6,9-10,12H2,1-2H3,(H,20,24)
InChIKeyYPNONEDUNFJTGD-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.07
Rot. Bonds5

About N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide

N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide (PubChem CID 133278233) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide
PubChem CID133278233
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(c2ncnc3ccc(C)cc23)C1
InChIInChI=1S/C19H26N4O/c1-3-4-9-20-19(24)15-6-5-10-23(12-15)18-16-11-14(2)7-8-17(16)21-13-22-18/h7-8,11,13,15H,3-6,9-10,12H2,1-2H3,(H,20,24)
InChIKeyYPNONEDUNFJTGD-UHFFFAOYSA-N
XLogP3.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.07
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-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 49431629
N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 110436254
N-(3-formamidopropyl)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 110436261
N-[3-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide
CID 91952166
N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide
CID 91952168
1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-pentylpiperidine-3-carboxamide
CID 46392303
(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92877305
(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-pentylpiperidine-3-carboxamide
CID 92892149
1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326896
N-butyl-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 53070361
(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92877156
N-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide
CID 50842301

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide (CID 133278233) is N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide is CCCCNC(=O)C1CCCN(c2ncnc3ccc(C)cc23)C1.
What is the InChIKey of N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide?
The InChIKey is YPNONEDUNFJTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-4-9-20-19(24)15-6-5-10-23(12-15)18-16-11-14(2)7-8-17(16)21-13-22-18/h7-8,11,13,15H,3-6,9-10,12H2,1-2H3,(H,20,24).
What are the key properties of N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide?
N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 133278233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).