N-(1-benzoylpiperidin-4-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide

C24H27N3O4 — CID 56567043

IUPACN-(1-benzoylpiperidin-4-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOc2ccccc21)NC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C24H27N3O4/c28-22(10-11-23(29)27-16-17-31-21-9-5-4-8-20(21)27)25-19-12-14-26(15-13-19)24(30)18-6-2-1-3-7-18/h1-9,19H,10-17H2,(H,25,28)
InChIKeyAVNJFGVCMYZOCA-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.61
Rot. Bonds5

About N-(1-benzoylpiperidin-4-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide

N-(1-benzoylpiperidin-4-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide (PubChem CID 56567043) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(1-benzoylpiperidin-4-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(1-benzoylpiperidin-4-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
PubChem CID56567043
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-(1-benzoylpiperidin-4-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOc2ccccc21)NC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C24H27N3O4/c28-22(10-11-23(29)27-16-17-31-21-9-5-4-8-20(21)27)25-19-12-14-26(15-13-19)24(30)18-6-2-1-3-7-18/h1-9,19H,10-17H2,(H,25,28)
InChIKeyAVNJFGVCMYZOCA-UHFFFAOYSA-N
XLogP2.61
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]butanamide
CID 56567608
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[(3S)-2-oxoazepan-3-yl]butanamide
CID 95311839
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-(3-methoxybenzoyl)piperazin-1-yl]butane-1,4-dione
CID 56563412
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(2S)-1-hydroxypropan-2-yl]-4-oxobutanamide
CID 97237050
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-prop-2-ynylbutanamide
CID 56782570
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1,2-diphenylethyl)-4-oxobutanamide
CID 56563124
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3,3-dimethyl-1-phenylbutyl)-4-oxobutanamide
CID 56565281
N-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 56581428
N,N-dibenzyl-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 56582322
1-[4-(2-chlorophenyl)piperazin-1-yl]-4-(2,3-dihydro-1,4-benzoxazin-4-yl)butane-1,4-dione
CID 56560282
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide
CID 56562770

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoylpiperidin-4-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide?
The IUPAC name of N-(1-benzoylpiperidin-4-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide (CID 56567043) is N-(1-benzoylpiperidin-4-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide.
What is the SMILES notation for N-(1-benzoylpiperidin-4-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide?
The canonical SMILES for N-(1-benzoylpiperidin-4-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide is O=C(CCC(=O)N1CCOc2ccccc21)NC1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-(1-benzoylpiperidin-4-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide?
The InChIKey is AVNJFGVCMYZOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c28-22(10-11-23(29)27-16-17-31-21-9-5-4-8-20(21)27)25-19-12-14-26(15-13-19)24(30)18-6-2-1-3-7-18/h1-9,19H,10-17H2,(H,25,28).
What are the key properties of N-(1-benzoylpiperidin-4-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide?
N-(1-benzoylpiperidin-4-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide has a molecular weight of 421.50 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoylpiperidin-4-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide is sourced from PubChem (CID 56567043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).