3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride

C17H28ClN3O — CID 120776525

IUPAC3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride
SMILESCN(C)C(=O)c1cccc(CN2CCC(N)C(C)(C)C2)c1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-17(2)12-20(9-8-15(17)18)11-13-6-5-7-14(10-13)16(21)19(3)4;/h5-7,10,15H,8-9,11-12,18H2,1-4H3;1H
InChIKeyNOVCWJOHVZHQLU-UHFFFAOYSA-N
MW325.88 g/mol
LogP2.37
Rot. Bonds3

About 3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride

3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride (PubChem CID 120776525) has the molecular formula C17H28ClN3O and a molecular weight of 325.88 g/mol. Its IUPAC name is 3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride
PubChem CID120776525
Molecular FormulaC17H28ClN3O
Molecular Weight325.88 g/mol
Exact Mass325.19
IUPAC Name3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride
SMILESCN(C)C(=O)c1cccc(CN2CCC(N)C(C)(C)C2)c1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-17(2)12-20(9-8-15(17)18)11-13-6-5-7-14(10-13)16(21)19(3)4;/h5-7,10,15H,8-9,11-12,18H2,1-4H3;1H
InChIKeyNOVCWJOHVZHQLU-UHFFFAOYSA-N
XLogP2.37
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N-methylbenzamide
CID 120776448
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 120819698
3-[(4-hydroxy-3,3-dimethylpiperidin-1-yl)methyl]benzoic acid
CID 112747193
1-[(3-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781917
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone;dihydrochloride
CID 120816373
3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 120774958
3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 120781439
3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 120776218
4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride
CID 120775335
3-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 95309881
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322
1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782066

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride (CID 120776525) is 3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride is CN(C)C(=O)c1cccc(CN2CCC(N)C(C)(C)C2)c1.Cl.
What is the InChIKey of 3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is NOVCWJOHVZHQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.ClH/c1-17(2)12-20(9-8-15(17)18)11-13-6-5-7-14(10-13)16(21)19(3)4;/h5-7,10,15H,8-9,11-12,18H2,1-4H3;1H.
What are the key properties of 3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride?
3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 120776525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).