9-amino-N-(1,3-dimethylpiperidin-4-yl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide

C18H33N3O — CID 120990710

IUPAC9-amino-N-(1,3-dimethylpiperidin-4-yl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCC1CN(C)CCC1N(C)C(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C18H33N3O/c1-12-11-20(2)8-7-16(12)21(3)18(22)15-9-13-5-4-6-14(10-15)17(13)19/h12-17H,4-11,19H2,1-3H3
InChIKeyBOBJKINIESVSHJ-UHFFFAOYSA-N
MW307.48 g/mol
LogP1.94
Rot. Bonds2

About 9-amino-N-(1,3-dimethylpiperidin-4-yl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-(1,3-dimethylpiperidin-4-yl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120990710) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is 9-amino-N-(1,3-dimethylpiperidin-4-yl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-(1,3-dimethylpiperidin-4-yl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120990710
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Name9-amino-N-(1,3-dimethylpiperidin-4-yl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCC1CN(C)CCC1N(C)C(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C18H33N3O/c1-12-11-20(2)8-7-16(12)21(3)18(22)15-9-13-5-4-6-14(10-15)17(13)19/h12-17H,4-11,19H2,1-3H3
InChIKeyBOBJKINIESVSHJ-UHFFFAOYSA-N
XLogP1.94
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-N-cyclopentyl-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992749
3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
CID 115161473
9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide
CID 120984755
9-amino-N-(4-methoxycyclohexyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120990005
9-amino-N-methyl-N-(thiolan-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983130
(3R)-N-cyclohexyl-N,1-dimethylpyrrolidine-3-carboxamide
CID 134459454
(3S)-N-cyclohexyl-N,1-dimethylpyrrolidine-3-carboxamide
CID 134459471
9-amino-N-(cyclobutylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989590
3-amino-N-methyl-N-(2-methylcyclohexyl)cyclopentane-1-carboxamide
CID 66008967
N-(1,3-dimethylpiperidin-4-yl)-2-(1-hydroxycyclohexyl)-N-methylacetamide
CID 111540189
9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983453
3-amino-N,4-dimethyl-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 62776343

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(1,3-dimethylpiperidin-4-yl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-(1,3-dimethylpiperidin-4-yl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide (CID 120990710) is 9-amino-N-(1,3-dimethylpiperidin-4-yl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-(1,3-dimethylpiperidin-4-yl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-(1,3-dimethylpiperidin-4-yl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide is CC1CN(C)CCC1N(C)C(=O)C1CC2CCCC(C1)C2N.
What is the InChIKey of 9-amino-N-(1,3-dimethylpiperidin-4-yl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is BOBJKINIESVSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c1-12-11-20(2)8-7-16(12)21(3)18(22)15-9-13-5-4-6-14(10-15)17(13)19/h12-17H,4-11,19H2,1-3H3.
What are the key properties of 9-amino-N-(1,3-dimethylpiperidin-4-yl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-(1,3-dimethylpiperidin-4-yl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 307.48 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(1,3-dimethylpiperidin-4-yl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120990710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).