2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide

C18H36N4O — CID 118531626

IUPAC2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(CN2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C18H36N4O/c1-18(2,3)22-12-10-21(11-13-22)14-16-6-8-20(9-7-16)15-17(23)19(4)5/h16H,6-15H2,1-5H3
InChIKeySGLMTHHZVXEYTQ-UHFFFAOYSA-N
MW324.51 g/mol
LogP1.20
Rot. Bonds4

About 2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 118531626) has the molecular formula C18H36N4O and a molecular weight of 324.51 g/mol. Its IUPAC name is 2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID118531626
Molecular FormulaC18H36N4O
Molecular Weight324.51 g/mol
Exact Mass324.29
IUPAC Name2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(CN2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C18H36N4O/c1-18(2,3)22-12-10-21(11-13-22)14-16-6-8-20(9-7-16)15-17(23)19(4)5/h16H,6-15H2,1-5H3
InChIKeySGLMTHHZVXEYTQ-UHFFFAOYSA-N
XLogP1.20
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 140912213
1-[1-[(1-tert-butylpiperidin-4-yl)methyl]piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727141
1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217
1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine
CID 155244121
4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 61430663
N,N-dimethyl-2-(4-methylpiperidin-1-yl)acetamide;ethane
CID 145317125
2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide
CID 127011721
N,N-dimethyl-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63849787
1-tert-butyl-5-[(1-tert-butylpiperidin-4-yl)methyl]-1,5-diazocane
CID 146549054
1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine
CID 156550929
2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 118531599
2-[4-[(2-hydroxy-2-methylpropyl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 65103485

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide (CID 118531626) is 2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC(CN2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is SGLMTHHZVXEYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O/c1-18(2,3)22-12-10-21(11-13-22)14-16-6-8-20(9-7-16)15-17(23)19(4)5/h16H,6-15H2,1-5H3.
What are the key properties of 2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 324.51 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 118531626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).