N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide

C22H30N4O2 — CID 655418

IUPACN-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
SMILESO=C(Cn1c(CN2CCCCC2)nc2ccccc2c1=O)NC1CCCCC1
InChIInChI=1S/C22H30N4O2/c27-21(23-17-9-3-1-4-10-17)16-26-20(15-25-13-7-2-8-14-25)24-19-12-6-5-11-18(19)22(26)28/h5-6,11-12,17H,1-4,7-10,13-16H2,(H,23,27)
InChIKeyWZXZSZULELYURT-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.83
Rot. Bonds5

About N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide

N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide (PubChem CID 655418) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
PubChem CID655418
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
SMILESO=C(Cn1c(CN2CCCCC2)nc2ccccc2c1=O)NC1CCCCC1
InChIInChI=1S/C22H30N4O2/c27-21(23-17-9-3-1-4-10-17)16-26-20(15-25-13-7-2-8-14-25)24-19-12-6-5-11-18(19)22(26)28/h5-6,11-12,17H,1-4,7-10,13-16H2,(H,23,27)
InChIKeyWZXZSZULELYURT-UHFFFAOYSA-N
XLogP2.83
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 1166555
2-(2-benzyl-4-oxoquinazolin-3-yl)-N-cyclohexylacetamide
CID 1462734
2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 8679806
N-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 4606267
3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one
CID 92589760
methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate
CID 8754555
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one
CID 124927087
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium
CID 8558706
2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide
CID 2440467
2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one
CID 2487613
N-cycloheptyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4822867

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide (CID 655418) is N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide is O=C(Cn1c(CN2CCCCC2)nc2ccccc2c1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
The InChIKey is WZXZSZULELYURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-21(23-17-9-3-1-4-10-17)16-26-20(15-25-13-7-2-8-14-25)24-19-12-6-5-11-18(19)22(26)28/h5-6,11-12,17H,1-4,7-10,13-16H2,(H,23,27).
What are the key properties of N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide has a molecular weight of 382.51 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide is sourced from PubChem (CID 655418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).