N-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride

C19H28ClN3O3S — CID 119046205

IUPACN-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc2c(c1)CCNCC2
InChIInChI=1S/C19H27N3O3S.ClH/c23-19(16-2-1-14-5-9-20-10-6-15(14)13-16)21-17-7-11-22(12-8-17)26(24,25)18-3-4-18;/h1-2,13,17-18,20H,3-12H2,(H,21,23);1H
InChIKeyYWNDLHQBCNQQDY-UHFFFAOYSA-N
MW413.97 g/mol
LogP1.48
Rot. Bonds4

About N-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride

N-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride (PubChem CID 119046205) has the molecular formula C19H28ClN3O3S and a molecular weight of 413.97 g/mol. Its IUPAC name is N-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride
PubChem CID119046205
Molecular FormulaC19H28ClN3O3S
Molecular Weight413.97 g/mol
Exact Mass413.15
IUPAC NameN-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc2c(c1)CCNCC2
InChIInChI=1S/C19H27N3O3S.ClH/c23-19(16-2-1-14-5-9-20-10-6-15(14)13-16)21-17-7-11-22(12-8-17)26(24,25)18-3-4-18;/h1-2,13,17-18,20H,3-12H2,(H,21,23);1H
InChIKeyYWNDLHQBCNQQDY-UHFFFAOYSA-N
XLogP1.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.97
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489063
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
CID 119046202
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999757
N-cyclopropyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142413
N-cyclopentyl-4-piperazin-1-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide
CID 46333749
N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998614
N-cyclopentyl-2,3-dihydro-1H-indole-6-carboxamide
CID 113382512
1-methylsulfonyl-N-piperidin-3-yl-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119425799
N-(azepan-4-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 105060018
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide
CID 108562672

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride?
The IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride (CID 119046205) is N-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride?
The canonical SMILES for N-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride is Cl.O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc2c(c1)CCNCC2.
What is the InChIKey of N-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride?
The InChIKey is YWNDLHQBCNQQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S.ClH/c23-19(16-2-1-14-5-9-20-10-6-15(14)13-16)21-17-7-11-22(12-8-17)26(24,25)18-3-4-18;/h1-2,13,17-18,20H,3-12H2,(H,21,23);1H.
What are the key properties of N-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride?
N-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride has a molecular weight of 413.97 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride is sourced from PubChem (CID 119046205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).