ethane;(4-methylpiperazin-1-yl)-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]methanone

C24H52N4O — CID 156836762

IUPACethane;(4-methylpiperazin-1-yl)-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]methanone
SMILESCC.CC.CC.CN1CCC(CN2CCC(C(=O)N3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C18H34N4O.3C2H6/c1-19-7-3-16(4-8-19)15-21-9-5-17(6-10-21)18(23)22-13-11-20(2)12-14-22;3*1-2/h16-17H,3-15H2,1-2H3;3*1-2H3
InChIKeyRNRVNLYMWWGFER-UHFFFAOYSA-N
MW412.71 g/mol
LogP3.89
Rot. Bonds3

About ethane;(4-methylpiperazin-1-yl)-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]methanone

ethane;(4-methylpiperazin-1-yl)-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]methanone (PubChem CID 156836762) has the molecular formula C24H52N4O and a molecular weight of 412.71 g/mol. Its IUPAC name is ethane;(4-methylpiperazin-1-yl)-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Nameethane;(4-methylpiperazin-1-yl)-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]methanone
PubChem CID156836762
Molecular FormulaC24H52N4O
Molecular Weight412.71 g/mol
Exact Mass412.41
IUPAC Nameethane;(4-methylpiperazin-1-yl)-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]methanone
SMILESCC.CC.CC.CN1CCC(CN2CCC(C(=O)N3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C18H34N4O.3C2H6/c1-19-7-3-16(4-8-19)15-21-9-5-17(6-10-21)18(23)22-13-11-20(2)12-14-22;3*1-2/h16-17H,3-15H2,1-2H3;3*1-2H3
InChIKeyRNRVNLYMWWGFER-UHFFFAOYSA-N
XLogP3.89
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.71
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 146249
1-[4-(Piperidine-1-carbonyl)-[1,4'-bipiperidin]-1'-YL]pentan-1-one
CID 42693384
(2S)-N,1-diethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine-2-carboxamide
CID 28908527
1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-4-pyrrolidin-1-ylbutan-1-one
CID 125519875
N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 164636914
(1-Tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone
CID 129149462
[4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane
CID 144962761
1-[4-[[1-[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one;ethane
CID 176558567
1-[4-Fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 177302310
1-[4-[[1-[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one
CID 176558568
2-(3-Methylpiperidin-1-yl)-1-[4-[2-(3-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
CID 3226820
(4-Methylpiperidin-1-yl)-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanone
CID 5323310

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylpiperazin-1-yl)-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]methanone?
The IUPAC name of ethane;(4-methylpiperazin-1-yl)-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]methanone (CID 156836762) is ethane;(4-methylpiperazin-1-yl)-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for ethane;(4-methylpiperazin-1-yl)-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for ethane;(4-methylpiperazin-1-yl)-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]methanone is CC.CC.CC.CN1CCC(CN2CCC(C(=O)N3CCN(C)CC3)CC2)CC1.
What is the InChIKey of ethane;(4-methylpiperazin-1-yl)-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]methanone?
The InChIKey is RNRVNLYMWWGFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O.3C2H6/c1-19-7-3-16(4-8-19)15-21-9-5-17(6-10-21)18(23)22-13-11-20(2)12-14-22;3*1-2/h16-17H,3-15H2,1-2H3;3*1-2H3.
What are the key properties of ethane;(4-methylpiperazin-1-yl)-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]methanone?
ethane;(4-methylpiperazin-1-yl)-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]methanone has a molecular weight of 412.71 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylpiperazin-1-yl)-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 156836762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).