1-(4-tert-butylpiperazin-1-yl)-2-piperidin-2-ylethanone

C15H29N3O — CID 61430399

IUPAC1-(4-tert-butylpiperazin-1-yl)-2-piperidin-2-ylethanone
SMILESCC(C)(C)N1CCN(C(=O)CC2CCCCN2)CC1
InChIInChI=1S/C15H29N3O/c1-15(2,3)18-10-8-17(9-11-18)14(19)12-13-6-4-5-7-16-13/h13,16H,4-12H2,1-3H3
InChIKeyGAVCXVYZEJGMLN-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.46
Rot. Bonds2

About 1-(4-tert-butylpiperazin-1-yl)-2-piperidin-2-ylethanone

1-(4-tert-butylpiperazin-1-yl)-2-piperidin-2-ylethanone (PubChem CID 61430399) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(4-tert-butylpiperazin-1-yl)-2-piperidin-2-ylethanone.

Molecular Properties

Compound Name1-(4-tert-butylpiperazin-1-yl)-2-piperidin-2-ylethanone
PubChem CID61430399
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(4-tert-butylpiperazin-1-yl)-2-piperidin-2-ylethanone
SMILESCC(C)(C)N1CCN(C(=O)CC2CCCCN2)CC1
InChIInChI=1S/C15H29N3O/c1-15(2,3)18-10-8-17(9-11-18)14(19)12-13-6-4-5-7-16-13/h13,16H,4-12H2,1-3H3
InChIKeyGAVCXVYZEJGMLN-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
2-piperidin-2-yl-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 43585502
2,2-dimethyl-1-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119708849
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
1-(3-methylpyrrolidin-1-yl)-2-piperidin-2-ylethanone
CID 61226626
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119860173
1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62205259
2-[1-(2-piperidin-2-ylacetyl)piperidin-4-yl]acetamide
CID 54989150
2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 61364492
1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119887210
N-cyclohexyl-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide
CID 119727444
2-piperidin-2-yl-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 113417562

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperazin-1-yl)-2-piperidin-2-ylethanone?
The IUPAC name of 1-(4-tert-butylpiperazin-1-yl)-2-piperidin-2-ylethanone (CID 61430399) is 1-(4-tert-butylpiperazin-1-yl)-2-piperidin-2-ylethanone.
What is the SMILES notation for 1-(4-tert-butylpiperazin-1-yl)-2-piperidin-2-ylethanone?
The canonical SMILES for 1-(4-tert-butylpiperazin-1-yl)-2-piperidin-2-ylethanone is CC(C)(C)N1CCN(C(=O)CC2CCCCN2)CC1.
What is the InChIKey of 1-(4-tert-butylpiperazin-1-yl)-2-piperidin-2-ylethanone?
The InChIKey is GAVCXVYZEJGMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-15(2,3)18-10-8-17(9-11-18)14(19)12-13-6-4-5-7-16-13/h13,16H,4-12H2,1-3H3.
What are the key properties of 1-(4-tert-butylpiperazin-1-yl)-2-piperidin-2-ylethanone?
1-(4-tert-butylpiperazin-1-yl)-2-piperidin-2-ylethanone has a molecular weight of 267.42 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperazin-1-yl)-2-piperidin-2-ylethanone is sourced from PubChem (CID 61430399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).