N-[3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)ethyl]phenyl]benzamide

C22H29N3O — CID 120776587

IUPACN-[3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)ethyl]phenyl]benzamide
SMILESCC(c1cccc(NC(=O)c2ccccc2)c1)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C22H29N3O/c1-16(25-13-12-20(23)22(2,3)15-25)18-10-7-11-19(14-18)24-21(26)17-8-5-4-6-9-17/h4-11,14,16,20H,12-13,15,23H2,1-3H3,(H,24,26)
InChIKeyOMWHWWZMOLBJGZ-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.06
Rot. Bonds4

About N-[3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)ethyl]phenyl]benzamide

N-[3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)ethyl]phenyl]benzamide (PubChem CID 120776587) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)ethyl]phenyl]benzamide
PubChem CID120776587
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)ethyl]phenyl]benzamide
SMILESCC(c1cccc(NC(=O)c2ccccc2)c1)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C22H29N3O/c1-16(25-13-12-20(23)22(2,3)15-25)18-10-7-11-19(14-18)24-21(26)17-8-5-4-6-9-17/h4-11,14,16,20H,12-13,15,23H2,1-3H3,(H,24,26)
InChIKeyOMWHWWZMOLBJGZ-UHFFFAOYSA-N
XLogP4.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride
CID 120774495
N-[3-[(1S)-1-[cyclopentanecarbonyl(methyl)amino]ethyl]phenyl]benzamide
CID 51930710
N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide
CID 87003801
2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
CID 120774986
N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide
CID 46456437
N-[3-[1-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide
CID 43065532
N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87003800
4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide
CID 46537045
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride
CID 120775307
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide
CID 120774507
N-[3-[(1R)-1-[cyclopentylmethylcarbamoyl(methyl)amino]ethyl]phenyl]benzamide
CID 94122244
N-[3-(1-hydroxyethyl)phenyl]-4-phenylbenzamide
CID 18552677

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)ethyl]phenyl]benzamide?
The IUPAC name of N-[3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)ethyl]phenyl]benzamide (CID 120776587) is N-[3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)ethyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)ethyl]phenyl]benzamide?
The canonical SMILES for N-[3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)ethyl]phenyl]benzamide is CC(c1cccc(NC(=O)c2ccccc2)c1)N1CCC(N)C(C)(C)C1.
What is the InChIKey of N-[3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)ethyl]phenyl]benzamide?
The InChIKey is OMWHWWZMOLBJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-16(25-13-12-20(23)22(2,3)15-25)18-10-7-11-19(14-18)24-21(26)17-8-5-4-6-9-17/h4-11,14,16,20H,12-13,15,23H2,1-3H3,(H,24,26).
What are the key properties of N-[3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)ethyl]phenyl]benzamide?
N-[3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)ethyl]phenyl]benzamide has a molecular weight of 351.49 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)ethyl]phenyl]benzamide is sourced from PubChem (CID 120776587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).