N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide

C25H30N4O2 — CID 45241139

IUPACN-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
SMILESCN(C(=O)CCn1cnc2ccccc2c1=O)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C25H30N4O2/c1-27(21-10-7-15-28(18-21)16-13-20-8-3-2-4-9-20)24(30)14-17-29-19-26-23-12-6-5-11-22(23)25(29)31/h2-6,8-9,11-12,19,21H,7,10,13-18H2,1H3
InChIKeyCYEQUSAJYINJTH-UHFFFAOYSA-N
MW418.54 g/mol
LogP2.95
Rot. Bonds7

About N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide

N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide (PubChem CID 45241139) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
PubChem CID45241139
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
SMILESCN(C(=O)CCn1cnc2ccccc2c1=O)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C25H30N4O2/c1-27(21-10-7-15-28(18-21)16-13-20-8-3-2-4-9-20)24(30)14-17-29-19-26-23-12-6-5-11-22(23)25(29)31/h2-6,8-9,11-12,19,21H,7,10,13-18H2,1H3
InChIKeyCYEQUSAJYINJTH-UHFFFAOYSA-N
XLogP2.95
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 45184954
3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 139023691
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 45246349
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 45239167
N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
CID 25298269
4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 26319728
3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45199254
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 129490734
N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 25392161
2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45198921
4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide?
The IUPAC name of N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide (CID 45241139) is N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide is CN(C(=O)CCn1cnc2ccccc2c1=O)C1CCCN(CCc2ccccc2)C1.
What is the InChIKey of N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide?
The InChIKey is CYEQUSAJYINJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-27(21-10-7-15-28(18-21)16-13-20-8-3-2-4-9-20)24(30)14-17-29-19-26-23-12-6-5-11-22(23)25(29)31/h2-6,8-9,11-12,19,21H,7,10,13-18H2,1H3.
What are the key properties of N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide?
N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide has a molecular weight of 418.54 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45241139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).