4-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride

C17H24ClN3O3 — CID 119775305

IUPAC4-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)CCNCC1.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-23-17(7-9-18-10-8-17)16(22)19-13-5-6-14-12(11-13)3-2-4-15(21)20-14;/h5-6,11,18H,2-4,7-10H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyVOWNDIMGYMRVQT-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.09
Rot. Bonds3

About 4-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride

4-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119775305) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 4-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID119775305
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name4-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)CCNCC1.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-23-17(7-9-18-10-8-17)16(22)19-13-5-6-14-12(11-13)3-2-4-15(21)20-14;/h5-6,11,18H,2-4,7-10H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyVOWNDIMGYMRVQT-UHFFFAOYSA-N
XLogP2.09
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

4-(methoxymethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 120631048
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119699420
4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
N-(4-fluoro-3-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119707232
N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708380
N-(3-fluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119705693
N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708344
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119704635
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616974

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride (CID 119775305) is 4-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride is COC1(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)CCNCC1.Cl.
What is the InChIKey of 4-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is VOWNDIMGYMRVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3.ClH/c1-23-17(7-9-18-10-8-17)16(22)19-13-5-6-14-12(11-13)3-2-4-15(21)20-14;/h5-6,11,18H,2-4,7-10H2,1H3,(H,19,22)(H,20,21);1H.
What are the key properties of 4-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119775305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).