2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide

C21H22N4O — CID 133355934

IUPAC2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(c2nc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C21H22N4O/c22-19(26)13-15-7-6-12-25(14-15)21-17-10-4-5-11-18(17)23-20(24-21)16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,12-14H2,(H2,22,26)
InChIKeyLGEJDXVGMMXFRS-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.39
Rot. Bonds4

About 2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide

2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide (PubChem CID 133355934) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide
PubChem CID133355934
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(c2nc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C21H22N4O/c22-19(26)13-15-7-6-12-25(14-15)21-17-10-4-5-11-18(17)23-20(24-21)16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,12-14H2,(H2,22,26)
InChIKeyLGEJDXVGMMXFRS-UHFFFAOYSA-N
XLogP3.39
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 40810173
1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol
CID 11415528
N-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine
CID 142582671
(3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide
CID 94434184
[1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol
CID 80792862
1-[1-(5,6-dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propan-2-one
CID 58780769
[(3S)-1-(6,7-dimethoxy-2-phenylquinazolin-4-yl)piperidin-3-yl]methanol
CID 9311249
2-[(3S)-1-[6-[(3-chlorophenoxy)methyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide
CID 10161770
2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline
CID 20963253
4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline
CID 10177767
2-[1-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]acetamide
CID 133356003
(3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol
CID 146046335

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide (CID 133355934) is 2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide is NC(=O)CC1CCCN(c2nc(-c3ccccc3)nc3ccccc23)C1.
What is the InChIKey of 2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is LGEJDXVGMMXFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c22-19(26)13-15-7-6-12-25(14-15)21-17-10-4-5-11-18(17)23-20(24-21)16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,12-14H2,(H2,22,26).
What are the key properties of 2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide?
2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 133355934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).