3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide

C25H30N4O2 — CID 45184954

IUPAC3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NC1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C25H30N4O2/c30-24(14-17-29-19-26-23-13-5-4-12-22(23)25(29)31)27-21-11-7-16-28(18-21)15-6-10-20-8-2-1-3-9-20/h1-5,8-9,12-13,19,21H,6-7,10-11,14-18H2,(H,27,30)
InChIKeyNYSHHAUAHUBBPW-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.00
Rot. Bonds8

About 3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide

3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide (PubChem CID 45184954) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
PubChem CID45184954
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NC1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C25H30N4O2/c30-24(14-17-29-19-26-23-13-5-4-12-22(23)25(29)31)27-21-11-7-16-28(18-21)15-6-10-20-8-2-1-3-9-20/h1-5,8-9,12-13,19,21H,6-7,10-11,14-18H2,(H,27,30)
InChIKeyNYSHHAUAHUBBPW-UHFFFAOYSA-N
XLogP3.00
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 25392161
N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45241139
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 45198986
4-oxo-4-phenyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 56702621
3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 45224965
N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 26397825
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-thiophen-3-ylpropanamide
CID 45181504
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 25495928
N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 45233013
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42453249
2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42191572

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide (CID 45184954) is 3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide is O=C(CCn1cnc2ccccc2c1=O)NC1CCCN(CCCc2ccccc2)C1.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide?
The InChIKey is NYSHHAUAHUBBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c30-24(14-17-29-19-26-23-13-5-4-12-22(23)25(29)31)27-21-11-7-16-28(18-21)15-6-10-20-8-2-1-3-9-20/h1-5,8-9,12-13,19,21H,6-7,10-11,14-18H2,(H,27,30).
What are the key properties of 3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide?
3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide has a molecular weight of 418.54 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45184954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).