1-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-2-one;hydrochloride

C12H22ClN3O2 — CID 119417380

IUPAC1-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-2-one;hydrochloride
SMILESCl.O=C(CN1CCCCC1=O)N1CCCNCC1
InChIInChI=1S/C12H21N3O2.ClH/c16-11-4-1-2-7-15(11)10-12(17)14-8-3-5-13-6-9-14;/h13H,1-10H2;1H
InChIKeyHUZBECPJXVJUDU-UHFFFAOYSA-N
MW275.78 g/mol
LogP0.24
Rot. Bonds2

About 1-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-2-one;hydrochloride

1-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-2-one;hydrochloride (PubChem CID 119417380) has the molecular formula C12H22ClN3O2 and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-2-one;hydrochloride
PubChem CID119417380
Molecular FormulaC12H22ClN3O2
Molecular Weight275.78 g/mol
Exact Mass275.14
IUPAC Name1-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-2-one;hydrochloride
SMILESCl.O=C(CN1CCCCC1=O)N1CCCNCC1
InChIInChI=1S/C12H21N3O2.ClH/c16-11-4-1-2-7-15(11)10-12(17)14-8-3-5-13-6-9-14;/h13H,1-10H2;1H
InChIKeyHUZBECPJXVJUDU-UHFFFAOYSA-N
XLogP0.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxo-2-piperazin-1-ylethyl)piperidin-2-one
CID 28824712
1-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]piperidin-2-one
CID 56869293
1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperidin-2-one
CID 62024110
1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 54878752
1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one
CID 110689775
1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride
CID 119417200
4-hydroxy-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119251297
1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride
CID 119544452
1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-4-carboxamide
CID 110689906
(9aR)-2-[2-(2-oxopiperidin-1-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95123551
1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63578835
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-2-one;hydrochloride?
The IUPAC name of 1-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-2-one;hydrochloride (CID 119417380) is 1-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-2-one;hydrochloride.
What is the SMILES notation for 1-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-2-one;hydrochloride?
The canonical SMILES for 1-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-2-one;hydrochloride is Cl.O=C(CN1CCCCC1=O)N1CCCNCC1.
What is the InChIKey of 1-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-2-one;hydrochloride?
The InChIKey is HUZBECPJXVJUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2.ClH/c16-11-4-1-2-7-15(11)10-12(17)14-8-3-5-13-6-9-14;/h13H,1-10H2;1H.
What are the key properties of 1-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-2-one;hydrochloride?
1-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-2-one;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-2-one;hydrochloride is sourced from PubChem (CID 119417380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).