N-benzyl-1-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxamide

C23H23FN4O3 — CID 46402429

IUPACN-benzyl-1-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)Cn2cnc3ccc(F)cc3c2=O)CC1
InChIInChI=1S/C23H23FN4O3/c24-18-6-7-20-19(12-18)23(31)28(15-26-20)14-21(29)27-10-8-17(9-11-27)22(30)25-13-16-4-2-1-3-5-16/h1-7,12,15,17H,8-11,13-14H2,(H,25,30)
InChIKeyXVWAQBVBPJMVAF-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.09
Rot. Bonds5

About N-benzyl-1-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxamide

N-benzyl-1-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxamide (PubChem CID 46402429) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-benzyl-1-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxamide
PubChem CID46402429
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC NameN-benzyl-1-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)Cn2cnc3ccc(F)cc3c2=O)CC1
InChIInChI=1S/C23H23FN4O3/c24-18-6-7-20-19(12-18)23(31)28(15-26-20)14-21(29)27-10-8-17(9-11-27)22(30)25-13-16-4-2-1-3-5-16/h1-7,12,15,17H,8-11,13-14H2,(H,25,30)
InChIKeyXVWAQBVBPJMVAF-UHFFFAOYSA-N
XLogP2.09
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-oxoquinazolin-3-yl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364453
N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113003928
6-fluoro-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 46581608
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one
CID 30895758
methyl 1-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxylate
CID 7886638
N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 26456587
N-benzyl-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 38063205
2-[4-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 30837051
ethyl 1-[2-(7-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxylate
CID 40743560
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide
CID 47023949
6-fluoro-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]quinazolin-4-one
CID 46598306

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxamide (CID 46402429) is N-benzyl-1-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)Cn2cnc3ccc(F)cc3c2=O)CC1.
What is the InChIKey of N-benzyl-1-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is XVWAQBVBPJMVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c24-18-6-7-20-19(12-18)23(31)28(15-26-20)14-21(29)27-10-8-17(9-11-27)22(30)25-13-16-4-2-1-3-5-16/h1-7,12,15,17H,8-11,13-14H2,(H,25,30).
What are the key properties of N-benzyl-1-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxamide?
N-benzyl-1-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 46402429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).