N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride

C24H41Cl2N3O — CID 119862946

IUPACN-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C24H39N3O.2ClH/c1-18(19-9-13-25-14-10-19)17-23(28)26-21-11-15-27(16-12-21)22-7-5-20(6-8-22)24(2,3)4;;/h5-8,18-19,21,25H,9-17H2,1-4H3,(H,26,28);2*1H
InChIKeyUQAZOTGNSBDLDJ-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.94
Rot. Bonds5

About N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride

N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119862946) has the molecular formula C24H41Cl2N3O and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119862946
Molecular FormulaC24H41Cl2N3O
Molecular Weight458.52 g/mol
Exact Mass457.26
IUPAC NameN-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C24H39N3O.2ClH/c1-18(19-9-13-25-14-10-19)17-23(28)26-21-11-15-27(16-12-21)22-7-5-20(6-8-22)24(2,3)4;;/h5-8,18-19,21,25H,9-17H2,1-4H3,(H,26,28);2*1H
InChIKeyUQAZOTGNSBDLDJ-UHFFFAOYSA-N
XLogP4.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119710904
3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119953381
N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928
N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119879223
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-hydroxy-2-methylpropanamide
CID 99834501
N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119755741
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide
CID 119848199
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119700558
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119862948
2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride
CID 119862908
3-piperidin-4-yl-N-(4-propylcyclohexyl)butanamide
CID 119750393
3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119775867

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119862946) is N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride is CC(CC(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is UQAZOTGNSBDLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O.2ClH/c1-18(19-9-13-25-14-10-19)17-23(28)26-21-11-15-27(16-12-21)22-7-5-20(6-8-22)24(2,3)4;;/h5-8,18-19,21,25H,9-17H2,1-4H3,(H,26,28);2*1H.
What are the key properties of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride?
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 458.52 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119862946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).