N-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride

C16H23Cl3N4O2 — CID 3053772

IUPACN-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride
SMILESCl.Cl.Cl.O=C(CN1CCCCC1)NCn1cnc2ccccc2c1=O
InChIInChI=1S/C16H20N4O2.3ClH/c21-15(10-19-8-4-1-5-9-19)18-12-20-11-17-14-7-3-2-6-13(14)16(20)22;;;/h2-3,6-7,11H,1,4-5,8-10,12H2,(H,18,21);3*1H
InChIKeyBSKXFHDIYLZKNA-UHFFFAOYSA-N
MW409.75 g/mol
LogP2.22
Rot. Bonds4

About N-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride

N-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride (PubChem CID 3053772) has the molecular formula C16H23Cl3N4O2 and a molecular weight of 409.75 g/mol. Its IUPAC name is N-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride.

Molecular Properties

Compound NameN-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride
PubChem CID3053772
Molecular FormulaC16H23Cl3N4O2
Molecular Weight409.75 g/mol
Exact Mass408.09
IUPAC NameN-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride
SMILESCl.Cl.Cl.O=C(CN1CCCCC1)NCn1cnc2ccccc2c1=O
InChIInChI=1S/C16H20N4O2.3ClH/c21-15(10-19-8-4-1-5-9-19)18-12-20-11-17-14-7-3-2-6-13(14)16(20)22;;;/h2-3,6-7,11H,1,4-5,8-10,12H2,(H,18,21);3*1H
InChIKeyBSKXFHDIYLZKNA-UHFFFAOYSA-N
XLogP2.22
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.75
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969226
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353191
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 26799065
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9403212
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
N-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 55462485
N-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide
CID 46966128
3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 36758177
N-cyclopropyl-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 55462563
3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide
CID 46977564

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride?
The IUPAC name of N-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride (CID 3053772) is N-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride.
What is the SMILES notation for N-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride?
The canonical SMILES for N-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride is Cl.Cl.Cl.O=C(CN1CCCCC1)NCn1cnc2ccccc2c1=O.
What is the InChIKey of N-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride?
The InChIKey is BSKXFHDIYLZKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.3ClH/c21-15(10-19-8-4-1-5-9-19)18-12-20-11-17-14-7-3-2-6-13(14)16(20)22;;;/h2-3,6-7,11H,1,4-5,8-10,12H2,(H,18,21);3*1H.
What are the key properties of N-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride?
N-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride has a molecular weight of 409.75 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride is sourced from PubChem (CID 3053772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).