N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide

C25H31N3O3 — CID 138995970

IUPACN-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
SMILESCC1CCCCN1Cc1ccccc1CNC(=O)CN1C(=O)CCOc2ccccc21
InChIInChI=1S/C25H31N3O3/c1-19-8-6-7-14-27(19)17-21-10-3-2-9-20(21)16-26-24(29)18-28-22-11-4-5-12-23(22)31-15-13-25(28)30/h2-5,9-12,19H,6-8,13-18H2,1H3,(H,26,29)
InChIKeyRXKGGYMIDZRGON-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.49
Rot. Bonds6

About N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide

N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide (PubChem CID 138995970) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide.

Molecular Properties

Compound NameN-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
PubChem CID138995970
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
SMILESCC1CCCCN1Cc1ccccc1CNC(=O)CN1C(=O)CCOc2ccccc21
InChIInChI=1S/C25H31N3O3/c1-19-8-6-7-14-27(19)17-21-10-3-2-9-20(21)16-26-24(29)18-28-22-11-4-5-12-23(22)31-15-13-25(28)30/h2-5,9-12,19H,6-8,13-18H2,1H3,(H,26,29)
InChIKeyRXKGGYMIDZRGON-UHFFFAOYSA-N
XLogP3.49
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 112826534
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 18143927
2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-propan-2-ylacetamide
CID 18107960
N-[(4-methoxyphenyl)methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 8006590
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
N-[(5-bromothiophen-2-yl)methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 32777011
2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845308
N-[(2-hydroxy-5-nitrophenyl)methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9155167
(4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97092356
4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564537
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877885
2-(3-methoxyphenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961658

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide?
The IUPAC name of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide (CID 138995970) is N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide.
What is the SMILES notation for N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide?
The canonical SMILES for N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide is CC1CCCCN1Cc1ccccc1CNC(=O)CN1C(=O)CCOc2ccccc21.
What is the InChIKey of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide?
The InChIKey is RXKGGYMIDZRGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-19-8-6-7-14-27(19)17-21-10-3-2-9-20(21)16-26-24(29)18-28-22-11-4-5-12-23(22)31-15-13-25(28)30/h2-5,9-12,19H,6-8,13-18H2,1H3,(H,26,29).
What are the key properties of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide?
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide has a molecular weight of 421.54 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide is sourced from PubChem (CID 138995970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).