2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride

C12H23ClN2O — CID 50988752

IUPAC2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
SMILESCl.O=C(CC1CCCC1)N1CCCNCC1
InChIInChI=1S/C12H22N2O.ClH/c15-12(10-11-4-1-2-5-11)14-8-3-6-13-7-9-14;/h11,13H,1-10H2;1H
InChIKeyWPIYMJLNJXFXNJ-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.81
Rot. Bonds2

About 2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride

2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride (PubChem CID 50988752) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is 2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
PubChem CID50988752
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
SMILESCl.O=C(CC1CCCC1)N1CCCNCC1
InChIInChI=1S/C12H22N2O.ClH/c15-12(10-11-4-1-2-5-11)14-8-3-6-13-7-9-14;/h11,13H,1-10H2;1H
InChIKeyWPIYMJLNJXFXNJ-UHFFFAOYSA-N
XLogP1.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119282220
3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119418872
1-piperazin-1-yl-2-(thietan-3-yl)ethanone
CID 84669595
2-cyclopentylsulfonyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 119414901
2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 115736845
2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 61175911
2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119418106
2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997204
2-cyclopentyl-1-(diazinan-1-yl)ethanone
CID 130871502
2-cyclohexyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)ethanone
CID 102849929
1-(1,4-diazepan-1-yl)-3-piperidin-2-ylpropan-1-one
CID 62210868
1-(1,4-diazepan-1-yl)butan-1-one
CID 10631004

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride (CID 50988752) is 2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride is Cl.O=C(CC1CCCC1)N1CCCNCC1.
What is the InChIKey of 2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride?
The InChIKey is WPIYMJLNJXFXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c15-12(10-11-4-1-2-5-11)14-8-3-6-13-7-9-14;/h11,13H,1-10H2;1H.
What are the key properties of 2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride?
2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 50988752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).