azepan-1-yl(piperazin-1-yl)methanone;hydrochloride

C11H22ClN3O — CID 2992287

IUPACazepan-1-yl(piperazin-1-yl)methanone;hydrochloride
SMILESCl.O=C(N1CCCCCC1)N1CCNCC1
InChIInChI=1S/C11H21N3O.ClH/c15-11(14-9-5-12-6-10-14)13-7-3-1-2-4-8-13;/h12H,1-10H2;1H
InChIKeyDLXOFQSSDHUJNG-UHFFFAOYSA-N
MW247.77 g/mol
LogP1.31
Rot. Bonds

About azepan-1-yl(piperazin-1-yl)methanone;hydrochloride

azepan-1-yl(piperazin-1-yl)methanone;hydrochloride (PubChem CID 2992287) has the molecular formula C11H22ClN3O and a molecular weight of 247.77 g/mol. Its IUPAC name is azepan-1-yl(piperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Nameazepan-1-yl(piperazin-1-yl)methanone;hydrochloride
PubChem CID2992287
Molecular FormulaC11H22ClN3O
Molecular Weight247.77 g/mol
Exact Mass247.15
IUPAC Nameazepan-1-yl(piperazin-1-yl)methanone;hydrochloride
SMILESCl.O=C(N1CCCCCC1)N1CCNCC1
InChIInChI=1S/C11H21N3O.ClH/c15-11(14-9-5-12-6-10-14)13-7-3-1-2-4-8-13;/h12H,1-10H2;1H
InChIKeyDLXOFQSSDHUJNG-UHFFFAOYSA-N
XLogP1.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone
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1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 130547937
pyrrolidine-1-carbonyl piperazine-1-carboxylate
CID 169258310
[(3R)-3-aminopiperidin-1-yl]-piperazin-1-ylmethanone
CID 124908113
azepan-1-yl-[4-(azetidin-3-yl)piperazin-1-yl]methanone
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azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 117068106
(4-cyclopentylpiperazin-1-yl)-piperazin-1-ylmethanone
CID 55063692
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(piperidin-1-yl)methanone
CID 79155027
cyclopropyl(1,4-diazepan-1-yl)methanone
CID 16775568
azepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone
CID 79152217
1-(1,4-diazepan-1-yl)-2,2,2-trifluoroethanone;hydrochloride
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azepan-1-yl(thiomorpholin-4-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl(piperazin-1-yl)methanone;hydrochloride?
The IUPAC name of azepan-1-yl(piperazin-1-yl)methanone;hydrochloride (CID 2992287) is azepan-1-yl(piperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for azepan-1-yl(piperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for azepan-1-yl(piperazin-1-yl)methanone;hydrochloride is Cl.O=C(N1CCCCCC1)N1CCNCC1.
What is the InChIKey of azepan-1-yl(piperazin-1-yl)methanone;hydrochloride?
The InChIKey is DLXOFQSSDHUJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.ClH/c15-11(14-9-5-12-6-10-14)13-7-3-1-2-4-8-13;/h12H,1-10H2;1H.
What are the key properties of azepan-1-yl(piperazin-1-yl)methanone;hydrochloride?
azepan-1-yl(piperazin-1-yl)methanone;hydrochloride has a molecular weight of 247.77 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl(piperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 2992287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).