3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride

C22H37ClN4O2 — CID 119526290

IUPAC3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
SMILESCC(C)CNC(=O)N1CCCC(C(=O)NCC(N)c2ccc(C(C)C)cc2)C1.Cl
InChIInChI=1S/C22H36N4O2.ClH/c1-15(2)12-25-22(28)26-11-5-6-19(14-26)21(27)24-13-20(23)18-9-7-17(8-10-18)16(3)4;/h7-10,15-16,19-20H,5-6,11-14,23H2,1-4H3,(H,24,27)(H,25,28);1H
InChIKeyDDUTVKHPEQKYIS-UHFFFAOYSA-N
MW425.02 g/mol
LogP3.43
Rot. Bonds7

About 3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride

3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride (PubChem CID 119526290) has the molecular formula C22H37ClN4O2 and a molecular weight of 425.02 g/mol. Its IUPAC name is 3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
PubChem CID119526290
Molecular FormulaC22H37ClN4O2
Molecular Weight425.02 g/mol
Exact Mass424.26
IUPAC Name3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
SMILESCC(C)CNC(=O)N1CCCC(C(=O)NCC(N)c2ccc(C(C)C)cc2)C1.Cl
InChIInChI=1S/C22H36N4O2.ClH/c1-15(2)12-25-22(28)26-11-5-6-19(14-26)21(27)24-13-20(23)18-9-7-17(8-10-18)16(3)4;/h7-10,15-16,19-20H,5-6,11-14,23H2,1-4H3,(H,24,27)(H,25,28);1H
InChIKeyDDUTVKHPEQKYIS-UHFFFAOYSA-N
XLogP3.43
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.02
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride with MolForge

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide
CID 119525287
3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120650995
(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119243904
N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide
CID 119529448
N-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119528013
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
CID 119480787
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 119506996
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119527204
N-(2-amino-2-phenylethyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119527413
3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120568216

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride (CID 119526290) is 3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride is CC(C)CNC(=O)N1CCCC(C(=O)NCC(N)c2ccc(C(C)C)cc2)C1.Cl.
What is the InChIKey of 3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride?
The InChIKey is DDUTVKHPEQKYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2.ClH/c1-15(2)12-25-22(28)26-11-5-6-19(14-26)21(27)24-13-20(23)18-9-7-17(8-10-18)16(3)4;/h7-10,15-16,19-20H,5-6,11-14,23H2,1-4H3,(H,24,27)(H,25,28);1H.
What are the key properties of 3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride?
3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride has a molecular weight of 425.02 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 119526290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).