ethane;1-[4-[4-(methylamino)piperazine-1-carbonyl]cyclohexyl]ethanone

C16H31N3O2 — CID 168882321

IUPACethane;1-[4-[4-(methylamino)piperazine-1-carbonyl]cyclohexyl]ethanone
SMILESCC.CNN1CCN(C(=O)C2CCC(C(C)=O)CC2)CC1
InChIInChI=1S/C14H25N3O2.C2H6/c1-11(18)12-3-5-13(6-4-12)14(19)16-7-9-17(15-2)10-8-16;1-2/h12-13,15H,3-10H2,1-2H3;1-2H3
InChIKeyTVTDNXXMFNXQPO-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.69
Rot. Bonds3

About ethane;1-[4-[4-(methylamino)piperazine-1-carbonyl]cyclohexyl]ethanone

ethane;1-[4-[4-(methylamino)piperazine-1-carbonyl]cyclohexyl]ethanone (PubChem CID 168882321) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is ethane;1-[4-[4-(methylamino)piperazine-1-carbonyl]cyclohexyl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-[4-(methylamino)piperazine-1-carbonyl]cyclohexyl]ethanone
PubChem CID168882321
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Nameethane;1-[4-[4-(methylamino)piperazine-1-carbonyl]cyclohexyl]ethanone
SMILESCC.CNN1CCN(C(=O)C2CCC(C(C)=O)CC2)CC1
InChIInChI=1S/C14H25N3O2.C2H6/c1-11(18)12-3-5-13(6-4-12)14(19)16-7-9-17(15-2)10-8-16;1-2/h12-13,15H,3-10H2,1-2H3;1-2H3
InChIKeyTVTDNXXMFNXQPO-UHFFFAOYSA-N
XLogP1.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone
CID 168881895
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60817866
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]butane-1,3-dione
CID 54876750
1-[1-[4-(ethylamino)cyclohexanecarbonyl]piperidin-4-yl]ethanone
CID 168881748
4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783969
methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 60700298
1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone
CID 60894221
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
acetyl 1-(methylamino)piperidine-4-carboxylate
CID 174692638
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[4-(methylamino)piperazine-1-carbonyl]cyclohexyl]ethanone?
The IUPAC name of ethane;1-[4-[4-(methylamino)piperazine-1-carbonyl]cyclohexyl]ethanone (CID 168882321) is ethane;1-[4-[4-(methylamino)piperazine-1-carbonyl]cyclohexyl]ethanone.
What is the SMILES notation for ethane;1-[4-[4-(methylamino)piperazine-1-carbonyl]cyclohexyl]ethanone?
The canonical SMILES for ethane;1-[4-[4-(methylamino)piperazine-1-carbonyl]cyclohexyl]ethanone is CC.CNN1CCN(C(=O)C2CCC(C(C)=O)CC2)CC1.
What is the InChIKey of ethane;1-[4-[4-(methylamino)piperazine-1-carbonyl]cyclohexyl]ethanone?
The InChIKey is TVTDNXXMFNXQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2.C2H6/c1-11(18)12-3-5-13(6-4-12)14(19)16-7-9-17(15-2)10-8-16;1-2/h12-13,15H,3-10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[4-[4-(methylamino)piperazine-1-carbonyl]cyclohexyl]ethanone?
ethane;1-[4-[4-(methylamino)piperazine-1-carbonyl]cyclohexyl]ethanone has a molecular weight of 297.44 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[4-(methylamino)piperazine-1-carbonyl]cyclohexyl]ethanone is sourced from PubChem (CID 168882321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).