4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride

C26H37ClN4O2 — CID 66926127

IUPAC4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride
SMILESCC(C)c1ccc(NC(=O)C2(N)CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cc1.Cl
InChIInChI=1S/C26H36N4O2.ClH/c1-18(2)19-6-10-21(11-7-19)28-23(31)26(27)14-16-30(17-15-26)24(32)29-22-12-8-20(9-13-22)25(3,4)5;/h6-13,18H,14-17,27H2,1-5H3,(H,28,31)(H,29,32);1H
InChIKeyXACIAKDWFOBOCR-UHFFFAOYSA-N
MW473.06 g/mol
LogP5.49
Rot. Bonds4

About 4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride

4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride (PubChem CID 66926127) has the molecular formula C26H37ClN4O2 and a molecular weight of 473.06 g/mol. Its IUPAC name is 4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride
PubChem CID66926127
Molecular FormulaC26H37ClN4O2
Molecular Weight473.06 g/mol
Exact Mass472.26
IUPAC Name4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride
SMILESCC(C)c1ccc(NC(=O)C2(N)CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cc1.Cl
InChIInChI=1S/C26H36N4O2.ClH/c1-18(2)19-6-10-21(11-7-19)28-23(31)26(27)14-16-30(17-15-26)24(32)29-22-12-8-20(9-13-22)25(3,4)5;/h6-13,18H,14-17,27H2,1-5H3,(H,28,31)(H,29,32);1H
InChIKeyXACIAKDWFOBOCR-UHFFFAOYSA-N
XLogP5.49
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.06
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride with MolForge

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Related Compounds

4-amino-4-N-(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethoxy)phenyl]piperidine-1,4-dicarboxamide
CID 58129384
1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119262760
4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 66921153
4-amino-1-(4-chlorobenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 50913817
4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 66921149
4-amino-1-(2-methylpropylsulfonyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 66921245
4-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 50913668
N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3789678
2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5220921
methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate
CID 108884940
N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide
CID 108884847
(1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 44571023

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride (CID 66926127) is 4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride is CC(C)c1ccc(NC(=O)C2(N)CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cc1.Cl.
What is the InChIKey of 4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride?
The InChIKey is XACIAKDWFOBOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2.ClH/c1-18(2)19-6-10-21(11-7-19)28-23(31)26(27)14-16-30(17-15-26)24(32)29-22-12-8-20(9-13-22)25(3,4)5;/h6-13,18H,14-17,27H2,1-5H3,(H,28,31)(H,29,32);1H.
What are the key properties of 4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride?
4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride has a molecular weight of 473.06 g/mol, XLogP of 5.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 66926127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).