4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C23H37N3O2 — CID 55647270

IUPAC4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCC(C)C(NC(=O)C1CCN(C(=O)N(C)C)CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H37N3O2/c1-16(2)20(17-8-10-19(11-9-17)23(3,4)5)24-21(27)18-12-14-26(15-13-18)22(28)25(6)7/h8-11,16,18,20H,12-15H2,1-7H3,(H,24,27)
InChIKeyVJZGNQDNFNJMHR-UHFFFAOYSA-N
MW387.57 g/mol
LogP4.19
Rot. Bonds4

About 4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 55647270) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is 4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID55647270
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC Name4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCC(C)C(NC(=O)C1CCN(C(=O)N(C)C)CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H37N3O2/c1-16(2)20(17-8-10-19(11-9-17)23(3,4)5)24-21(27)18-12-14-26(15-13-18)22(28)25(6)7/h8-11,16,18,20H,12-15H2,1-7H3,(H,24,27)
InChIKeyVJZGNQDNFNJMHR-UHFFFAOYSA-N
XLogP4.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide
CID 30906945
N-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide
CID 71900527
4-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 46491446
4-N-[cyclopropyl(phenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 47028583
1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide
CID 134048684
4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 43501083
4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 60779224
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55875019
4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 94858106
N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46419931
N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]cycloheptanecarboxamide
CID 58417181
1-N,1-N-dimethyl-4-N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]piperidine-1,4-dicarboxamide
CID 60614939

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 55647270) is 4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CC(C)C(NC(=O)C1CCN(C(=O)N(C)C)CC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is VJZGNQDNFNJMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-16(2)20(17-8-10-19(11-9-17)23(3,4)5)24-21(27)18-12-14-26(15-13-18)22(28)25(6)7/h8-11,16,18,20H,12-15H2,1-7H3,(H,24,27).
What are the key properties of 4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 387.57 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 55647270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).