5-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride

C19H33Cl2N3O — CID 120646712

IUPAC5-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride
SMILESCCC1CCCN(C(C)(C)CNC(=O)c2cc(N)ccc2C)C1.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-5-15-7-6-10-22(12-15)19(3,4)13-21-18(23)17-11-16(20)9-8-14(17)2;;/h8-9,11,15H,5-7,10,12-13,20H2,1-4H3,(H,21,23);2*1H
InChIKeyZHLPNZMAUJJCMC-UHFFFAOYSA-N
MW390.40 g/mol
LogP4.05
Rot. Bonds5

About 5-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride

5-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride (PubChem CID 120646712) has the molecular formula C19H33Cl2N3O and a molecular weight of 390.40 g/mol. Its IUPAC name is 5-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride.

Molecular Properties

Compound Name5-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride
PubChem CID120646712
Molecular FormulaC19H33Cl2N3O
Molecular Weight390.40 g/mol
Exact Mass389.20
IUPAC Name5-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride
SMILESCCC1CCCN(C(C)(C)CNC(=O)c2cc(N)ccc2C)C1.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-5-15-7-6-10-22(12-15)19(3,4)13-21-18(23)17-11-16(20)9-8-14(17)2;;/h8-9,11,15H,5-7,10,12-13,20H2,1-4H3,(H,21,23);2*1H
InChIKeyZHLPNZMAUJJCMC-UHFFFAOYSA-N
XLogP4.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 120645327
5-amino-N-(cyclobutylmethyl)-2-methylbenzamide;hydrochloride
CID 120622474
5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
CID 103459942
1-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-3-(4-methylphenyl)urea
CID 95765182
N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119884497
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325
(5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113416759
3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride
CID 120638870
(2R)-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]piperidine-2-carboxamide
CID 119884432
5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide
CID 120646104
5-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120636550
5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 120643725

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride?
The IUPAC name of 5-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride (CID 120646712) is 5-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride.
What is the SMILES notation for 5-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride?
The canonical SMILES for 5-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride is CCC1CCCN(C(C)(C)CNC(=O)c2cc(N)ccc2C)C1.Cl.Cl.
What is the InChIKey of 5-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride?
The InChIKey is ZHLPNZMAUJJCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.2ClH/c1-5-15-7-6-10-22(12-15)19(3,4)13-21-18(23)17-11-16(20)9-8-14(17)2;;/h8-9,11,15H,5-7,10,12-13,20H2,1-4H3,(H,21,23);2*1H.
What are the key properties of 5-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride?
5-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride has a molecular weight of 390.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride is sourced from PubChem (CID 120646712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).