N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide

C18H27N3O2 — CID 56707406

IUPACN-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
SMILESCCN1CCCC(CNC(=O)c2ccc3c(c2)OCCN3C)C1
InChIInChI=1S/C18H27N3O2/c1-3-21-8-4-5-14(13-21)12-19-18(22)15-6-7-16-17(11-15)23-10-9-20(16)2/h6-7,11,14H,3-5,8-10,12-13H2,1-2H3,(H,19,22)
InChIKeyZPYFXZRGZKNAPW-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.98
Rot. Bonds4

About N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide

N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide (PubChem CID 56707406) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
PubChem CID56707406
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
SMILESCCN1CCCC(CNC(=O)c2ccc3c(c2)OCCN3C)C1
InChIInChI=1S/C18H27N3O2/c1-3-21-8-4-5-14(13-21)12-19-18(22)15-6-7-16-17(11-15)23-10-9-20(16)2/h6-7,11,14H,3-5,8-10,12-13H2,1-2H3,(H,19,22)
InChIKeyZPYFXZRGZKNAPW-UHFFFAOYSA-N
XLogP1.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide 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

N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 94824651
5-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 56702364
N-(cyclopentylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 39212067
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 100729262
4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide
CID 103872708
tert-butyl (3S)-3-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)methyl]piperidine-1-carboxylate
CID 97172233
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide
CID 95227494
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63212001
N-[[(3R)-1-propylpiperidin-3-yl]methyl]-4-sulfamoylbenzamide
CID 95215747
N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026999
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide
CID 94811143

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide (CID 56707406) is N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide is CCN1CCCC(CNC(=O)c2ccc3c(c2)OCCN3C)C1.
What is the InChIKey of N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide?
The InChIKey is ZPYFXZRGZKNAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-21-8-4-5-14(13-21)12-19-18(22)15-6-7-16-17(11-15)23-10-9-20(16)2/h6-7,11,14H,3-5,8-10,12-13H2,1-2H3,(H,19,22).
What are the key properties of N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide?
N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 56707406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).