N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide

C23H26N4O2 — CID 25392161

IUPACN-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H26N4O2/c28-22(12-15-27-17-24-21-9-5-4-8-20(21)23(27)29)25-19-10-13-26(14-11-19)16-18-6-2-1-3-7-18/h1-9,17,19H,10-16H2,(H,25,28)
InChIKeyNETHIVBQPZSDFK-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.57
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 25392161) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID25392161
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H26N4O2/c28-22(12-15-27-17-24-21-9-5-4-8-20(21)23(27)29)25-19-10-13-26(14-11-19)16-18-6-2-1-3-7-18/h1-9,17,19H,10-16H2,(H,25,28)
InChIKeyNETHIVBQPZSDFK-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 38548825
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 25495928
3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 45184954
N-(1-benzylpiperidin-4-yl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide
CID 53028199
N-cyclopropyl-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 55462563
N-[(4aR,6R,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 124877599
3-(2-amino-6-oxo-1H-purin-9-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 135528846
3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 15994271
N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 51280662
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 41489007
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26736638

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 25392161) is N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide is O=C(CCn1cnc2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is NETHIVBQPZSDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-22(12-15-27-17-24-21-9-5-4-8-20(21)23(27)29)25-19-10-13-26(14-11-19)16-18-6-2-1-3-7-18/h1-9,17,19H,10-16H2,(H,25,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 390.49 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 25392161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).