1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide

C24H26N4O3 — CID 137316079

IUPAC1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C24H26N4O3/c29-22(14-6-13-21-26-20-12-5-4-11-19(20)24(31)27-21)28-15-7-8-17(16-28)23(30)25-18-9-2-1-3-10-18/h1-5,9-12,17H,6-8,13-16H2,(H,25,30)(H,26,27,31)
InChIKeyXRIYAYCINFVUKU-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.12
Rot. Bonds6

About 1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide

1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 137316079) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide
PubChem CID137316079
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C24H26N4O3/c29-22(14-6-13-21-26-20-12-5-4-11-19(20)24(31)27-21)28-15-7-8-17(16-28)23(30)25-18-9-2-1-3-10-18/h1-5,9-12,17H,6-8,13-16H2,(H,25,30)(H,26,27,31)
InChIKeyXRIYAYCINFVUKU-UHFFFAOYSA-N
XLogP3.12
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 167903187
2-[4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-oxobutyl]-3H-quinazolin-4-one;hydrochloride
CID 137078552
(3R)-3-N-methyl-3-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 136701479
2-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]-3H-quinazolin-4-one
CID 135587910
2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 135933709
1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide
CID 24560730
2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 135949295
1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide
CID 134051532
2-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 135622289
N-cyclopropyl-2-[4-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]piperazin-1-yl]propanamide
CID 137278349
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide
CID 136767866
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831927

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide (CID 137316079) is 1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCCN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)C1.
What is the InChIKey of 1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is XRIYAYCINFVUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-22(14-6-13-21-26-20-12-5-4-11-19(20)24(31)27-21)28-15-7-8-17(16-28)23(30)25-18-9-2-1-3-10-18/h1-5,9-12,17H,6-8,13-16H2,(H,25,30)(H,26,27,31).
What are the key properties of 1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide?
1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 137316079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).