2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methyl-2-propylpiperidin-1-yl)ethanone

C18H32N2O — CID 119809602

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methyl-2-propylpiperidin-1-yl)ethanone
SMILESCCCC1C(C)CCCN1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C18H32N2O/c1-3-5-17-13(2)6-4-9-20(17)18(21)12-14-10-15-7-8-16(11-14)19-15/h13-17,19H,3-12H2,1-2H3
InChIKeyKKZDEILHGRYNSF-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.33
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methyl-2-propylpiperidin-1-yl)ethanone

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methyl-2-propylpiperidin-1-yl)ethanone (PubChem CID 119809602) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methyl-2-propylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methyl-2-propylpiperidin-1-yl)ethanone
PubChem CID119809602
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methyl-2-propylpiperidin-1-yl)ethanone
SMILESCCCC1C(C)CCCN1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C18H32N2O/c1-3-5-17-13(2)6-4-9-20(17)18(21)12-14-10-15-7-8-16(11-14)19-15/h13-17,19H,3-12H2,1-2H3
InChIKeyKKZDEILHGRYNSF-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-2-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119809613
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
CID 79614899
methyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate
CID 79607684
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-methylbutyl)piperidin-1-yl]ethanone;hydrochloride
CID 119822367
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 103814616
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 79607325
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-2-carboxamide
CID 79607257
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 119728138
1-(4-acetyl-1,4-diazepan-1-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 79610796
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-cyclopentylethanone
CID 95357695
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propoxyazepan-1-yl)ethanone
CID 119780018
4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-methylpiperazine-2,6-dione
CID 79615830

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methyl-2-propylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methyl-2-propylpiperidin-1-yl)ethanone (CID 119809602) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methyl-2-propylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methyl-2-propylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methyl-2-propylpiperidin-1-yl)ethanone is CCCC1C(C)CCCN1C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methyl-2-propylpiperidin-1-yl)ethanone?
The InChIKey is KKZDEILHGRYNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-3-5-17-13(2)6-4-9-20(17)18(21)12-14-10-15-7-8-16(11-14)19-15/h13-17,19H,3-12H2,1-2H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methyl-2-propylpiperidin-1-yl)ethanone?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methyl-2-propylpiperidin-1-yl)ethanone has a molecular weight of 292.47 g/mol, XLogP of 3.33, 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-methyl-2-propylpiperidin-1-yl)ethanone is sourced from PubChem (CID 119809602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).