2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride

C18H33ClN2O — CID 119807830

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCC(C)CC1CCCN(C(=O)CC2CC3CCC(C2)N3)C1.Cl
InChIInChI=1S/C18H32N2O.ClH/c1-13(2)8-14-4-3-7-20(12-14)18(21)11-15-9-16-5-6-17(10-15)19-16;/h13-17,19H,3-12H2,1-2H3;1H
InChIKeyTYDWWYOBSPDNMX-UHFFFAOYSA-N
MW328.93 g/mol
LogP3.61
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 119807830) has the molecular formula C18H33ClN2O and a molecular weight of 328.93 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride
PubChem CID119807830
Molecular FormulaC18H33ClN2O
Molecular Weight328.93 g/mol
Exact Mass328.23
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCC(C)CC1CCCN(C(=O)CC2CC3CCC(C2)N3)C1.Cl
InChIInChI=1S/C18H32N2O.ClH/c1-13(2)8-14-4-3-7-20(12-14)18(21)11-15-9-16-5-6-17(10-15)19-16;/h13-17,19H,3-12H2,1-2H3;1H
InChIKeyTYDWWYOBSPDNMX-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.93
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 79607325
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 119867587
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propan-2-ylazepan-1-yl)ethanone;hydrochloride
CID 119787865
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 119786515
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119763244
1-(4-acetyl-1,4-diazepan-1-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 79610796
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119883763
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 79614821
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 79607933
(1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 119807799
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-propylpiperidine-3-carboxamide
CID 119763386
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
CID 79614899

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride (CID 119807830) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride is CC(C)CC1CCCN(C(=O)CC2CC3CCC(C2)N3)C1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is TYDWWYOBSPDNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O.ClH/c1-13(2)8-14-4-3-7-20(12-14)18(21)11-15-9-16-5-6-17(10-15)19-16;/h13-17,19H,3-12H2,1-2H3;1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 328.93 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119807830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).