N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-3-phenylpropanamide

C25H31N3O3 — CID 46930249

IUPACN-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1
InChIInChI=1S/C25H31N3O3/c29-24(12-11-20-7-2-1-3-8-20)26-21-13-17-27(18-14-21)15-6-16-28-22-9-4-5-10-23(22)31-19-25(28)30/h1-5,7-10,21H,6,11-19H2,(H,26,29)
InChIKeyOWVRLJMCMWIKSX-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.02
Rot. Bonds8

About N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-3-phenylpropanamide

N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-3-phenylpropanamide (PubChem CID 46930249) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-3-phenylpropanamide
PubChem CID46930249
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1
InChIInChI=1S/C25H31N3O3/c29-24(12-11-20-7-2-1-3-8-20)26-21-13-17-27(18-14-21)15-6-16-28-22-9-4-5-10-23(22)31-19-25(28)30/h1-5,7-10,21H,6,11-19H2,(H,26,29)
InChIKeyOWVRLJMCMWIKSX-UHFFFAOYSA-N
XLogP3.02
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-3-phenylpropanamide (CID 46930249) is N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1.
What is the InChIKey of N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is OWVRLJMCMWIKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c29-24(12-11-20-7-2-1-3-8-20)26-21-13-17-27(18-14-21)15-6-16-28-22-9-4-5-10-23(22)31-19-25(28)30/h1-5,7-10,21H,6,11-19H2,(H,26,29).
What are the key properties of N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-3-phenylpropanamide?
N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 421.54 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 46930249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).