N-tert-butyl-2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-piperidin-4-ylacetamide

C25H40N4O2 — CID 66792694

IUPACN-tert-butyl-2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-piperidin-4-ylacetamide
SMILESCC(C)(C)c1ccccc1N1CCN(C(=O)C(=O)N(C2CCNCC2)C(C)(C)C)CC1
InChIInChI=1S/C25H40N4O2/c1-24(2,3)20-9-7-8-10-21(20)27-15-17-28(18-16-27)22(30)23(31)29(25(4,5)6)19-11-13-26-14-12-19/h7-10,19,26H,11-18H2,1-6H3
InChIKeyPKKQBXWHJFQGFV-UHFFFAOYSA-N
MW428.62 g/mol
LogP3.01
Rot. Bonds2

About N-tert-butyl-2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-piperidin-4-ylacetamide

N-tert-butyl-2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-piperidin-4-ylacetamide (PubChem CID 66792694) has the molecular formula C25H40N4O2 and a molecular weight of 428.62 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-piperidin-4-ylacetamide
PubChem CID66792694
Molecular FormulaC25H40N4O2
Molecular Weight428.62 g/mol
Exact Mass428.32
IUPAC NameN-tert-butyl-2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-piperidin-4-ylacetamide
SMILESCC(C)(C)c1ccccc1N1CCN(C(=O)C(=O)N(C2CCNCC2)C(C)(C)C)CC1
InChIInChI=1S/C25H40N4O2/c1-24(2,3)20-9-7-8-10-21(20)27-15-17-28(18-16-27)22(30)23(31)29(25(4,5)6)19-11-13-26-14-12-19/h7-10,19,26H,11-18H2,1-6H3
InChIKeyPKKQBXWHJFQGFV-UHFFFAOYSA-N
XLogP3.01
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate
CID 113076502
N-benzyl-2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 66751325
[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 66792715
1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine
CID 122436156
1-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 117008321
1-[4-(2-tert-butylphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 91049311
3-[4-(2-tert-butylphenyl)piperazine-1-carbonyl]adamantane-1-carboxylic acid
CID 66792713
2-[4-(2-tert-butylphenyl)piperazin-1-yl]-N'-methanimidoyl-2-oxoethanimidamide
CID 91451924
4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106291
2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid
CID 46931248
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108959153
4-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-methyl-4-oxobut-2-enamide
CID 66792788

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-piperidin-4-ylacetamide?
The IUPAC name of N-tert-butyl-2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-piperidin-4-ylacetamide (CID 66792694) is N-tert-butyl-2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-piperidin-4-ylacetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-piperidin-4-ylacetamide?
The canonical SMILES for N-tert-butyl-2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-piperidin-4-ylacetamide is CC(C)(C)c1ccccc1N1CCN(C(=O)C(=O)N(C2CCNCC2)C(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-piperidin-4-ylacetamide?
The InChIKey is PKKQBXWHJFQGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O2/c1-24(2,3)20-9-7-8-10-21(20)27-15-17-28(18-16-27)22(30)23(31)29(25(4,5)6)19-11-13-26-14-12-19/h7-10,19,26H,11-18H2,1-6H3.
What are the key properties of N-tert-butyl-2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-piperidin-4-ylacetamide?
N-tert-butyl-2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-piperidin-4-ylacetamide has a molecular weight of 428.62 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-piperidin-4-ylacetamide is sourced from PubChem (CID 66792694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).