ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone

C17H35N3O — CID 170617031

IUPACethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCC.CC(=O)N1CCN(CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C15H29N3O.C2H6/c1-13(2)17-6-4-15(5-7-17)12-16-8-10-18(11-9-16)14(3)19;1-2/h13,15H,4-12H2,1-3H3;1-2H3
InChIKeySSCVRFXYYCKUFN-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.30
Rot. Bonds3

About ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone

ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 170617031) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID170617031
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Nameethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCC.CC(=O)N1CCN(CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C15H29N3O.C2H6/c1-13(2)17-6-4-15(5-7-17)12-16-8-10-18(11-9-16)14(3)19;1-2/h13,15H,4-12H2,1-3H3;1-2H3
InChIKeySSCVRFXYYCKUFN-UHFFFAOYSA-N
XLogP2.30
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone
CID 167190623
(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
CID 166021048
ethane;2-[methyl(propan-2-yl)amino]-1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 167478965
N-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide
CID 170620925
1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine
CID 167125945
2-methyl-1-[4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 170613851
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-2-one
CID 176575948
2,2,4,4-tetramethyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-one
CID 163269367
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
N-(2-hydroxyethyl)-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;molecular hydrogen
CID 177062205
1-[4-[(4-acetylpiperazin-1-yl)methyl]piperidin-1-yl]-2,2,3,3-tetramethylpentan-1-one;ethane
CID 177194731

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone (CID 170617031) is ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone is CC.CC(=O)N1CCN(CC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is SSCVRFXYYCKUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.C2H6/c1-13(2)17-6-4-15(5-7-17)12-16-8-10-18(11-9-16)14(3)19;1-2/h13,15H,4-12H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 297.49 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 170617031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).