N-methyl-N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-2-phenylacetamide

C25H31N3O3 — CID 46930170

IUPACN-methyl-N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-2-phenylacetamide
SMILESCN(C(=O)Cc1ccccc1)C1CCN(CCCN2C(=O)COc3ccccc32)CC1
InChIInChI=1S/C25H31N3O3/c1-26(24(29)18-20-8-3-2-4-9-20)21-12-16-27(17-13-21)14-7-15-28-22-10-5-6-11-23(22)31-19-25(28)30/h2-6,8-11,21H,7,12-19H2,1H3
InChIKeyJRLRPPKTYBXZTF-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.97
Rot. Bonds7

About N-methyl-N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-2-phenylacetamide

N-methyl-N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-2-phenylacetamide (PubChem CID 46930170) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-methyl-N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-methyl-N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-2-phenylacetamide
PubChem CID46930170
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-methyl-N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-2-phenylacetamide
SMILESCN(C(=O)Cc1ccccc1)C1CCN(CCCN2C(=O)COc3ccccc32)CC1
InChIInChI=1S/C25H31N3O3/c1-26(24(29)18-20-8-3-2-4-9-20)21-12-16-27(17-13-21)14-7-15-28-22-10-5-6-11-23(22)31-19-25(28)30/h2-6,8-11,21H,7,12-19H2,1H3
InChIKeyJRLRPPKTYBXZTF-UHFFFAOYSA-N
XLogP2.97
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of N-methyl-N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-2-phenylacetamide (CID 46930170) is N-methyl-N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-methyl-N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for N-methyl-N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-2-phenylacetamide is CN(C(=O)Cc1ccccc1)C1CCN(CCCN2C(=O)COc3ccccc32)CC1.
What is the InChIKey of N-methyl-N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-2-phenylacetamide?
The InChIKey is JRLRPPKTYBXZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-26(24(29)18-20-8-3-2-4-9-20)21-12-16-27(17-13-21)14-7-15-28-22-10-5-6-11-23(22)31-19-25(28)30/h2-6,8-11,21H,7,12-19H2,1H3.
What are the key properties of N-methyl-N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-2-phenylacetamide?
N-methyl-N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-2-phenylacetamide has a molecular weight of 421.54 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 46930170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).