3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N-methylbenzamide

C16H25N3O — CID 120776448

IUPAC3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CN2CCC(N)C(C)(C)C2)c1
InChIInChI=1S/C16H25N3O/c1-16(2)11-19(8-7-14(16)17)10-12-5-4-6-13(9-12)15(20)18-3/h4-6,9,14H,7-8,10-11,17H2,1-3H3,(H,18,20)
InChIKeyKTUDEEWQMNJNAY-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.61
Rot. Bonds3

About 3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N-methylbenzamide

3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N-methylbenzamide (PubChem CID 120776448) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N-methylbenzamide
PubChem CID120776448
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CN2CCC(N)C(C)(C)C2)c1
InChIInChI=1S/C16H25N3O/c1-16(2)11-19(8-7-14(16)17)10-12-5-4-6-13(9-12)15(20)18-3/h4-6,9,14H,7-8,10-11,17H2,1-3H3,(H,18,20)
InChIKeyKTUDEEWQMNJNAY-UHFFFAOYSA-N
XLogP1.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride
CID 120776525
3-[(4-hydroxy-3,3-dimethylpiperidin-1-yl)methyl]benzoic acid
CID 112747193
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 120819698
3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide
CID 146131801
3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 120774958
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone;dihydrochloride
CID 120816373
1-[(3-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781917
3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 120776218
3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide
CID 63577694
3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 120781439
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N-methylbenzamide?
The IUPAC name of 3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N-methylbenzamide (CID 120776448) is 3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N-methylbenzamide is CNC(=O)c1cccc(CN2CCC(N)C(C)(C)C2)c1.
What is the InChIKey of 3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N-methylbenzamide?
The InChIKey is KTUDEEWQMNJNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2)11-19(8-7-14(16)17)10-12-5-4-6-13(9-12)15(20)18-3/h4-6,9,14H,7-8,10-11,17H2,1-3H3,(H,18,20).
What are the key properties of 3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N-methylbenzamide?
3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N-methylbenzamide has a molecular weight of 275.40 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 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-methylbenzamide is sourced from PubChem (CID 120776448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).