2-azaspiro[3.3]heptan-2-yl(piperidin-4-yl)methanone;hydrochloride

C12H21ClN2O — CID 170169563

IUPAC2-azaspiro[3.3]heptan-2-yl(piperidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCNCC1)N1CC2(CCC2)C1
InChIInChI=1S/C12H20N2O.ClH/c15-11(10-2-6-13-7-3-10)14-8-12(9-14)4-1-5-12;/h10,13H,1-9H2;1H
InChIKeyYMHMIEPJPVRQPC-UHFFFAOYSA-N
MW244.77 g/mol
LogP1.42
Rot. Bonds1

About 2-azaspiro[3.3]heptan-2-yl(piperidin-4-yl)methanone;hydrochloride

2-azaspiro[3.3]heptan-2-yl(piperidin-4-yl)methanone;hydrochloride (PubChem CID 170169563) has the molecular formula C12H21ClN2O and a molecular weight of 244.77 g/mol. Its IUPAC name is 2-azaspiro[3.3]heptan-2-yl(piperidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name2-azaspiro[3.3]heptan-2-yl(piperidin-4-yl)methanone;hydrochloride
PubChem CID170169563
Molecular FormulaC12H21ClN2O
Molecular Weight244.77 g/mol
Exact Mass244.13
IUPAC Name2-azaspiro[3.3]heptan-2-yl(piperidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCNCC1)N1CC2(CCC2)C1
InChIInChI=1S/C12H20N2O.ClH/c15-11(10-2-6-13-7-3-10)14-8-12(9-14)4-1-5-12;/h10,13H,1-9H2;1H
InChIKeyYMHMIEPJPVRQPC-UHFFFAOYSA-N
XLogP1.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849782
cyclobutyl(2,9-diazaspiro[4.5]decan-2-yl)methanone
CID 134068804
6-azaspiro[3.4]octan-6-yl(azetidin-3-yl)methanone
CID 131185783
4-(piperidine-4-carbonyl)piperazine-2,6-dione
CID 66084412
cyclopropyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
CID 126759987
ethane;piperidin-4-yl-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 176934946
4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 91186239
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
(4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 119307759
[(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 129498418
(4-ethyl-4-methylpiperidin-1-yl)-piperidin-4-ylmethanone
CID 63160104
1-(piperidine-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138207

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[3.3]heptan-2-yl(piperidin-4-yl)methanone;hydrochloride?
The IUPAC name of 2-azaspiro[3.3]heptan-2-yl(piperidin-4-yl)methanone;hydrochloride (CID 170169563) is 2-azaspiro[3.3]heptan-2-yl(piperidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for 2-azaspiro[3.3]heptan-2-yl(piperidin-4-yl)methanone;hydrochloride?
The canonical SMILES for 2-azaspiro[3.3]heptan-2-yl(piperidin-4-yl)methanone;hydrochloride is Cl.O=C(C1CCNCC1)N1CC2(CCC2)C1.
What is the InChIKey of 2-azaspiro[3.3]heptan-2-yl(piperidin-4-yl)methanone;hydrochloride?
The InChIKey is YMHMIEPJPVRQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O.ClH/c15-11(10-2-6-13-7-3-10)14-8-12(9-14)4-1-5-12;/h10,13H,1-9H2;1H.
What are the key properties of 2-azaspiro[3.3]heptan-2-yl(piperidin-4-yl)methanone;hydrochloride?
2-azaspiro[3.3]heptan-2-yl(piperidin-4-yl)methanone;hydrochloride has a molecular weight of 244.77 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[3.3]heptan-2-yl(piperidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 170169563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).