(4-amino-3,5-dimethylpiperidin-1-yl)-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone

C18H33N3O — CID 166275992

IUPAC(4-amino-3,5-dimethylpiperidin-1-yl)-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone
SMILESCC1CN(C(=O)N2C[C@H]3CC[C@@](C)(C2)C3(C)C)CC(C)C1N
InChIInChI=1S/C18H33N3O/c1-12-8-20(9-13(2)15(12)19)16(22)21-10-14-6-7-18(5,11-21)17(14,3)4/h12-15H,6-11,19H2,1-5H3/t12?,13?,14-,15?,18+/m1/s1
InChIKeyWOBXMQQWCMAOBF-DDAHWRSMSA-N
MW307.48 g/mol
LogP2.78
Rot. Bonds

About (4-amino-3,5-dimethylpiperidin-1-yl)-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone

(4-amino-3,5-dimethylpiperidin-1-yl)-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone (PubChem CID 166275992) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is (4-amino-3,5-dimethylpiperidin-1-yl)-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone.

Molecular Properties

Compound Name(4-amino-3,5-dimethylpiperidin-1-yl)-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone
PubChem CID166275992
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Name(4-amino-3,5-dimethylpiperidin-1-yl)-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone
SMILESCC1CN(C(=O)N2C[C@H]3CC[C@@](C)(C2)C3(C)C)CC(C)C1N
InChIInChI=1S/C18H33N3O/c1-12-8-20(9-13(2)15(12)19)16(22)21-10-14-6-7-18(5,11-21)17(14,3)4/h12-15H,6-11,19H2,1-5H3/t12?,13?,14-,15?,18+/m1/s1
InChIKeyWOBXMQQWCMAOBF-DDAHWRSMSA-N
XLogP2.78
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dimethylpiperidin-1-yl)-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone?
The IUPAC name of (4-amino-3,5-dimethylpiperidin-1-yl)-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone (CID 166275992) is (4-amino-3,5-dimethylpiperidin-1-yl)-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone.
What is the SMILES notation for (4-amino-3,5-dimethylpiperidin-1-yl)-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone?
The canonical SMILES for (4-amino-3,5-dimethylpiperidin-1-yl)-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone is CC1CN(C(=O)N2C[C@H]3CC[C@@](C)(C2)C3(C)C)CC(C)C1N.
What is the InChIKey of (4-amino-3,5-dimethylpiperidin-1-yl)-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone?
The InChIKey is WOBXMQQWCMAOBF-DDAHWRSMSA-N. The full InChI is InChI=1S/C18H33N3O/c1-12-8-20(9-13(2)15(12)19)16(22)21-10-14-6-7-18(5,11-21)17(14,3)4/h12-15H,6-11,19H2,1-5H3/t12?,13?,14-,15?,18+/m1/s1.
What are the key properties of (4-amino-3,5-dimethylpiperidin-1-yl)-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone?
(4-amino-3,5-dimethylpiperidin-1-yl)-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone has a molecular weight of 307.48 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dimethylpiperidin-1-yl)-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone is sourced from PubChem (CID 166275992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).