1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride

C16H23ClN2O — CID 119414334

IUPAC1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccc2c(c1)CCCC2)N1CCCNCC1
InChIInChI=1S/C16H22N2O.ClH/c19-16(18-10-3-8-17-9-11-18)15-7-6-13-4-1-2-5-14(13)12-15;/h6-7,12,17H,1-5,8-11H2;1H
InChIKeyVLYUPBMHUGXXSB-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.42
Rot. Bonds1

About 1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride

1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride (PubChem CID 119414334) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
PubChem CID119414334
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccc2c(c1)CCCC2)N1CCCNCC1
InChIInChI=1S/C16H22N2O.ClH/c19-16(18-10-3-8-17-9-11-18)15-7-6-13-4-1-2-5-14(13)12-15;/h6-7,12,17H,1-5,8-11H2;1H
InChIKeyVLYUPBMHUGXXSB-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 95475622
phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 84543270
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 120657187
[4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 38461269
7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 13369863
methyl 4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808701
cyclopropyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806430
1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82132544
N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazine-1-carboxamide
CID 38724077
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
1,4-diazepan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 119418449
cyclobutyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110809284

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride?
The IUPAC name of 1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride (CID 119414334) is 1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride.
What is the SMILES notation for 1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride?
The canonical SMILES for 1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride is Cl.O=C(c1ccc2c(c1)CCCC2)N1CCCNCC1.
What is the InChIKey of 1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride?
The InChIKey is VLYUPBMHUGXXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c19-16(18-10-3-8-17-9-11-18)15-7-6-13-4-1-2-5-14(13)12-15;/h6-7,12,17H,1-5,8-11H2;1H.
What are the key properties of 1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride?
1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119414334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).