[6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride

C19H34ClN3O — CID 120905036

IUPAC[6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride
SMILESCC1(CN2CCC3(CC2)CC3C(=O)N2CCCCC2)CCNC1.Cl
InChIInChI=1S/C19H33N3O.ClH/c1-18(5-8-20-14-18)15-21-11-6-19(7-12-21)13-16(19)17(23)22-9-3-2-4-10-22;/h16,20H,2-15H2,1H3;1H
InChIKeyBFMFKNXDJMTIKT-UHFFFAOYSA-N
MW355.95 g/mol
LogP2.52
Rot. Bonds3

About [6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride

[6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride (PubChem CID 120905036) has the molecular formula C19H34ClN3O and a molecular weight of 355.95 g/mol. Its IUPAC name is [6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride
PubChem CID120905036
Molecular FormulaC19H34ClN3O
Molecular Weight355.95 g/mol
Exact Mass355.24
IUPAC Name[6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride
SMILESCC1(CN2CCC3(CC2)CC3C(=O)N2CCCCC2)CCNC1.Cl
InChIInChI=1S/C19H33N3O.ClH/c1-18(5-8-20-14-18)15-21-11-6-19(7-12-21)13-16(19)17(23)22-9-3-2-4-10-22;/h16,20H,2-15H2,1H3;1H
InChIKeyBFMFKNXDJMTIKT-UHFFFAOYSA-N
XLogP2.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.95
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride with MolForge

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Related Compounds

1-(azepan-1-yl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone
CID 120897835
5-azaspiro[2.4]heptan-2-yl(pyrrolidin-1-yl)methanone
CID 131208946
[(2R,3S)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone
CID 97492765
2-[4-[(3-methylpyrrolidin-3-yl)methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 120898244
1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120897299
2-cyclohexyl-1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone
CID 120903102
N,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride
CID 120898363
N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 120903015
1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 120897194
6-azaspiro[2.5]octan-2-yl-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103872611
5-azaspiro[2.4]heptan-2-yl(1,4-oxazepan-4-yl)methanone
CID 138039435
2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
CID 120897174

Frequently Asked Questions

What is the IUPAC name of [6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride?
The IUPAC name of [6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride (CID 120905036) is [6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride?
The canonical SMILES for [6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride is CC1(CN2CCC3(CC2)CC3C(=O)N2CCCCC2)CCNC1.Cl.
What is the InChIKey of [6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride?
The InChIKey is BFMFKNXDJMTIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O.ClH/c1-18(5-8-20-14-18)15-21-11-6-19(7-12-21)13-16(19)17(23)22-9-3-2-4-10-22;/h16,20H,2-15H2,1H3;1H.
What are the key properties of [6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride?
[6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride has a molecular weight of 355.95 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 120905036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).