N-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide

C23H26N4O2 — CID 50844325

IUPACN-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide
SMILESO=C(CCn1c(N2CCCCC2)nc2ccccc2c1=O)NCc1ccccc1
InChIInChI=1S/C23H26N4O2/c28-21(24-17-18-9-3-1-4-10-18)13-16-27-22(29)19-11-5-6-12-20(19)25-23(27)26-14-7-2-8-15-26/h1,3-6,9-12H,2,7-8,13-17H2,(H,24,28)
InChIKeyJLBMGOXBSSUQNE-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.09
Rot. Bonds6

About N-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide

N-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide (PubChem CID 50844325) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide
PubChem CID50844325
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide
SMILESO=C(CCn1c(N2CCCCC2)nc2ccccc2c1=O)NCc1ccccc1
InChIInChI=1S/C23H26N4O2/c28-21(24-17-18-9-3-1-4-10-18)13-16-27-22(29)19-11-5-6-12-20(19)25-23(27)26-14-7-2-8-15-26/h1,3-6,9-12H,2,7-8,13-17H2,(H,24,28)
InChIKeyJLBMGOXBSSUQNE-UHFFFAOYSA-N
XLogP3.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide
CID 50844707
3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one
CID 126457829
N-[(4-methoxyphenyl)methyl]-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide
CID 50844803
3-[4-oxo-2-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]propanoic acid
CID 71563908
3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide
CID 46977564
N-benzyl-4-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]butanamide
CID 5097572
3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052429
N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 651770
3-(3-fluorophenyl)-N-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide
CID 46195575
N-benzyl-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2608290
N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4064442
3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 36758177

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide?
The IUPAC name of N-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide (CID 50844325) is N-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide.
What is the SMILES notation for N-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide?
The canonical SMILES for N-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide is O=C(CCn1c(N2CCCCC2)nc2ccccc2c1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide?
The InChIKey is JLBMGOXBSSUQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-21(24-17-18-9-3-1-4-10-18)13-16-27-22(29)19-11-5-6-12-20(19)25-23(27)26-14-7-2-8-15-26/h1,3-6,9-12H,2,7-8,13-17H2,(H,24,28).
What are the key properties of N-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide?
N-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide has a molecular weight of 390.49 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide is sourced from PubChem (CID 50844325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).