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

C22H24N4O — CID 133274920

IUPACN-[[1-(4-phenylquinazolin-2-yl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(c2nc(-c3ccccc3)c3ccccc3n2)C1
InChIInChI=1S/C22H24N4O/c1-16(27)23-14-17-8-7-13-26(15-17)22-24-20-12-6-5-11-19(20)21(25-22)18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-15H2,1H3,(H,23,27)
InChIKeyGUPHRTQMRIIQTJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.65
Rot. Bonds4

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

N-[[1-(4-phenylquinazolin-2-yl)piperidin-3-yl]methyl]acetamide (PubChem CID 133274920) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[[1-(4-phenylquinazolin-2-yl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(4-phenylquinazolin-2-yl)piperidin-3-yl]methyl]acetamide
PubChem CID133274920
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[[1-(4-phenylquinazolin-2-yl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(c2nc(-c3ccccc3)c3ccccc3n2)C1
InChIInChI=1S/C22H24N4O/c1-16(27)23-14-17-8-7-13-26(15-17)22-24-20-12-6-5-11-19(20)21(25-22)18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-15H2,1H3,(H,23,27)
InChIKeyGUPHRTQMRIIQTJ-UHFFFAOYSA-N
XLogP3.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 27816575
4-phenyl-2-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline
CID 133275818
2-[ethyl-[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]amino]acetic acid
CID 122062292
(2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide
CID 34039994
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 39754180
4-(3-ethylpiperidin-1-yl)-2-phenylquinoline
CID 90687074
tert-butyl N-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-3-yl]methyl]carbamate
CID 137268454
N-[[1-(4-nitrophenyl)piperidin-3-yl]methyl]acetamide
CID 133274968
N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide
CID 133274899
N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 95199453
N-[[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]methyl]acetamide;molecular hydrogen
CID 162038609

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-phenylquinazolin-2-yl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-(4-phenylquinazolin-2-yl)piperidin-3-yl]methyl]acetamide (CID 133274920) is N-[[1-(4-phenylquinazolin-2-yl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(4-phenylquinazolin-2-yl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(4-phenylquinazolin-2-yl)piperidin-3-yl]methyl]acetamide is CC(=O)NCC1CCCN(c2nc(-c3ccccc3)c3ccccc3n2)C1.
What is the InChIKey of N-[[1-(4-phenylquinazolin-2-yl)piperidin-3-yl]methyl]acetamide?
The InChIKey is GUPHRTQMRIIQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16(27)23-14-17-8-7-13-26(15-17)22-24-20-12-6-5-11-19(20)21(25-22)18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-15H2,1H3,(H,23,27).
What are the key properties of N-[[1-(4-phenylquinazolin-2-yl)piperidin-3-yl]methyl]acetamide?
N-[[1-(4-phenylquinazolin-2-yl)piperidin-3-yl]methyl]acetamide has a molecular weight of 360.46 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-phenylquinazolin-2-yl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 133274920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).