2-(4-pyrrolidin-2-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid;hydrochloride

C17H30ClN3O2 — CID 135144926

IUPAC2-(4-pyrrolidin-2-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)N1CCC2(CC(N3CCC(C4CCCN4)CC3)C2)C1
InChIInChI=1S/C17H29N3O2.ClH/c21-16(22)20-9-5-17(12-20)10-14(11-17)19-7-3-13(4-8-19)15-2-1-6-18-15;/h13-15,18H,1-12H2,(H,21,22);1H
InChIKeyNALYMCADXHDBPE-UHFFFAOYSA-N
MW343.90 g/mol
LogP2.40
Rot. Bonds2

About 2-(4-pyrrolidin-2-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid;hydrochloride

2-(4-pyrrolidin-2-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid;hydrochloride (PubChem CID 135144926) has the molecular formula C17H30ClN3O2 and a molecular weight of 343.90 g/mol. Its IUPAC name is 2-(4-pyrrolidin-2-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(4-pyrrolidin-2-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid;hydrochloride
PubChem CID135144926
Molecular FormulaC17H30ClN3O2
Molecular Weight343.90 g/mol
Exact Mass343.20
IUPAC Name2-(4-pyrrolidin-2-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)N1CCC2(CC(N3CCC(C4CCCN4)CC3)C2)C1
InChIInChI=1S/C17H29N3O2.ClH/c21-16(22)20-9-5-17(12-20)10-14(11-17)19-7-3-13(4-8-19)15-2-1-6-18-15;/h13-15,18H,1-12H2,(H,21,22);1H
InChIKeyNALYMCADXHDBPE-UHFFFAOYSA-N
XLogP2.40
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-pyrrolidin-2-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid;hydrochloride with MolForge

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Related Compounds

2-(4-piperidin-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144917
azetidine;ethyl 2-[4-[1-(azetidine-1-carbonyl)pyrrolidin-2-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylate;hydrochloride
CID 158412131
2-[4-(1-methylpyrrolidin-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144813
2-[4-[(2S)-1-(2-fluoroethoxycarbonyl)pyrrolidin-2-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144805
2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 118295008
2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144992
2-[4-[(2R)-2-methoxycarbonylpyrrolidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144938
2-[4-[ethyl(methoxy)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155408012
2-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144899
9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 66701001
2-(3-oxospiro[5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,4'-piperidine]-1'-yl)-6-azaspiro[3.4]octane-6-carboxylic acid
CID 122539550
2-[4-(4,5-dichloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144893

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-2-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid;hydrochloride?
The IUPAC name of 2-(4-pyrrolidin-2-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid;hydrochloride (CID 135144926) is 2-(4-pyrrolidin-2-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(4-pyrrolidin-2-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(4-pyrrolidin-2-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid;hydrochloride is Cl.O=C(O)N1CCC2(CC(N3CCC(C4CCCN4)CC3)C2)C1.
What is the InChIKey of 2-(4-pyrrolidin-2-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid;hydrochloride?
The InChIKey is NALYMCADXHDBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.ClH/c21-16(22)20-9-5-17(12-20)10-14(11-17)19-7-3-13(4-8-19)15-2-1-6-18-15;/h13-15,18H,1-12H2,(H,21,22);1H.
What are the key properties of 2-(4-pyrrolidin-2-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid;hydrochloride?
2-(4-pyrrolidin-2-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-2-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid;hydrochloride is sourced from PubChem (CID 135144926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).