N-methyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidine-4-carboxamide

C17H25N3O — CID 103983216

IUPACN-methyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C2CCNCc3ccccc32)CC1
InChIInChI=1S/C17H25N3O/c1-18-17(21)13-7-10-20(11-8-13)16-6-9-19-12-14-4-2-3-5-15(14)16/h2-5,13,16,19H,6-12H2,1H3,(H,18,21)
InChIKeyYOZFBULPQYNOKP-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.68
Rot. Bonds2

About N-methyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidine-4-carboxamide

N-methyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidine-4-carboxamide (PubChem CID 103983216) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-methyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidine-4-carboxamide
PubChem CID103983216
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-methyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C2CCNCc3ccccc32)CC1
InChIInChI=1S/C17H25N3O/c1-18-17(21)13-7-10-20(11-8-13)16-6-9-19-12-14-4-2-3-5-15(14)16/h2-5,13,16,19H,6-12H2,1H3,(H,18,21)
InChIKeyYOZFBULPQYNOKP-UHFFFAOYSA-N
XLogP1.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone
CID 103983370
[1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol
CID 103983164
5-(4-propan-2-ylpiperazin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 103983221
N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine
CID 103983445
5-(4-benzylpiperazin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 113361696
2-[methyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103983282
N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)propanamide
CID 103981826
5-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 103983111
N-methyl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide
CID 119275567
N-methyl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119275566
N-(1,2,3,4-tetrahydroisoquinolin-4-yl)cyclopropanecarboxamide
CID 82584883
1-[(1S)-2,3-dihydro-1H-inden-1-yl]piperazine
CID 30634298

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidine-4-carboxamide (CID 103983216) is N-methyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidine-4-carboxamide is CNC(=O)C1CCN(C2CCNCc3ccccc32)CC1.
What is the InChIKey of N-methyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidine-4-carboxamide?
The InChIKey is YOZFBULPQYNOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-18-17(21)13-7-10-20(11-8-13)16-6-9-19-12-14-4-2-3-5-15(14)16/h2-5,13,16,19H,6-12H2,1H3,(H,18,21).
What are the key properties of N-methyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidine-4-carboxamide?
N-methyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidine-4-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 103983216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).