2-piperidin-2-yl-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C14H27N3O — CID 43585502

IUPAC2-piperidin-2-yl-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)CC2CCCCN2)CC1
InChIInChI=1S/C14H27N3O/c1-12(2)16-7-9-17(10-8-16)14(18)11-13-5-3-4-6-15-13/h12-13,15H,3-11H2,1-2H3
InChIKeyOJGCTBUEKDTRPK-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds3

About 2-piperidin-2-yl-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-piperidin-2-yl-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 43585502) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-piperidin-2-yl-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-piperidin-2-yl-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID43585502
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-piperidin-2-yl-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)CC2CCCCN2)CC1
InChIInChI=1S/C14H27N3O/c1-12(2)16-7-9-17(10-8-16)14(18)11-13-5-3-4-6-15-13/h12-13,15H,3-11H2,1-2H3
InChIKeyOJGCTBUEKDTRPK-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
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
1-(4-tert-butylpiperazin-1-yl)-2-piperidin-2-ylethanone
CID 61430399
2-piperidin-2-yl-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 113417562
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
1-(3-methylpyrrolidin-1-yl)-2-piperidin-2-ylethanone
CID 61226626
2-methyl-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propanamide;hydrochloride
CID 119734420
2,2-dimethyl-1-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119708849
2-[1-(2-piperidin-2-ylacetyl)piperidin-4-yl]acetamide
CID 54989150
1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119887210
N-cyclohexyl-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide
CID 119727444
N,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide
CID 119837520
2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride
CID 119705182

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-piperidin-2-yl-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 43585502) is 2-piperidin-2-yl-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-piperidin-2-yl-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-piperidin-2-yl-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)N1CCN(C(=O)CC2CCCCN2)CC1.
What is the InChIKey of 2-piperidin-2-yl-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is OJGCTBUEKDTRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(2)16-7-9-17(10-8-16)14(18)11-13-5-3-4-6-15-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 2-piperidin-2-yl-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-piperidin-2-yl-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 253.39 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 43585502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).