2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride

C19H33Cl2N3O — CID 119862908

IUPAC2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride
SMILESCC(C)(N)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-18(2,3)14-6-8-16(9-7-14)22-12-10-15(11-13-22)21-17(23)19(4,5)20;;/h6-9,15H,10-13,20H2,1-5H3,(H,21,23);2*1H
InChIKeyHINQKHVHRVBAPN-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.65
Rot. Bonds3

About 2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride

2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride (PubChem CID 119862908) has the molecular formula C19H33Cl2N3O and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride
PubChem CID119862908
Molecular FormulaC19H33Cl2N3O
Molecular Weight390.40 g/mol
Exact Mass389.20
IUPAC Name2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride
SMILESCC(C)(N)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-18(2,3)14-6-8-16(9-7-14)22-12-10-15(11-13-22)21-17(23)19(4,5)20;;/h6-9,15H,10-13,20H2,1-5H3,(H,21,23);2*1H
InChIKeyHINQKHVHRVBAPN-UHFFFAOYSA-N
XLogP3.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-hydroxy-2-methylpropanamide
CID 99834501
2-amino-2-phenyl-N-(1-phenylpiperidin-4-yl)propanamide
CID 120595916
3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]benzamide
CID 119862941
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119862926
3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119953381
2-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 61265591
2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 119862945
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119862948
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-cyclopropyl-1,3-thiazole-5-carboxamide
CID 86891667
2-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylpropanamide
CID 61264639
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119862946
2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110480014

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride (CID 119862908) is 2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride is CC(C)(N)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1.Cl.Cl.
What is the InChIKey of 2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride?
The InChIKey is HINQKHVHRVBAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.2ClH/c1-18(2,3)14-6-8-16(9-7-14)22-12-10-15(11-13-22)21-17(23)19(4,5)20;;/h6-9,15H,10-13,20H2,1-5H3,(H,21,23);2*1H.
What are the key properties of 2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride?
2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride has a molecular weight of 390.40 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride is sourced from PubChem (CID 119862908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).