bis(N,4-dimethylpiperazine-1-carboxamide);ethane;bis(N-methylcyclopentanecarboxamide);bis(N-methylpiperidine-1-carboxamide)

C50H108N12O6 — CID 157140892

IUPACbis(N,4-dimethylpiperazine-1-carboxamide);ethane;bis(N-methylcyclopentanecarboxamide);bis(N-methylpiperidine-1-carboxamide)
SMILESCC.CC.CC.CC.CNC(=O)C1CCCC1.CNC(=O)C1CCCC1.CNC(=O)N1CCCCC1.CNC(=O)N1CCCCC1.CNC(=O)N1CCN(C)CC1.CNC(=O)N1CCN(C)CC1
InChIInChI=1S/2C7H15N3O.2C7H14N2O.2C7H13NO.4C2H6/c2*1-8-7(11)10-5-3-9(2)4-6-10;2*1-8-7(10)9-5-3-2-4-6-9;2*1-8-7(9)6-4-2-3-5-6;4*1-2/h2*3-6H2,1-2H3,(H,8,11);2*2-6H2,1H3,(H,8,10);2*6H,2-5H2,1H3,(H,8,9);4*1-2H3
InChIKeyAKECSNGYWBZKEU-UHFFFAOYSA-N
MW973.49 g/mol
LogP6.72
Rot. Bonds2

About bis(N,4-dimethylpiperazine-1-carboxamide);ethane;bis(N-methylcyclopentanecarboxamide);bis(N-methylpiperidine-1-carboxamide)

bis(N,4-dimethylpiperazine-1-carboxamide);ethane;bis(N-methylcyclopentanecarboxamide);bis(N-methylpiperidine-1-carboxamide) (PubChem CID 157140892) has the molecular formula C50H108N12O6 and a molecular weight of 973.49 g/mol. Its IUPAC name is bis(N,4-dimethylpiperazine-1-carboxamide);ethane;bis(N-methylcyclopentanecarboxamide);bis(N-methylpiperidine-1-carboxamide).

Molecular Properties

Compound Namebis(N,4-dimethylpiperazine-1-carboxamide);ethane;bis(N-methylcyclopentanecarboxamide);bis(N-methylpiperidine-1-carboxamide)
PubChem CID157140892
Molecular FormulaC50H108N12O6
Molecular Weight973.49 g/mol
Exact Mass972.85
IUPAC Namebis(N,4-dimethylpiperazine-1-carboxamide);ethane;bis(N-methylcyclopentanecarboxamide);bis(N-methylpiperidine-1-carboxamide)
SMILESCC.CC.CC.CC.CNC(=O)C1CCCC1.CNC(=O)C1CCCC1.CNC(=O)N1CCCCC1.CNC(=O)N1CCCCC1.CNC(=O)N1CCN(C)CC1.CNC(=O)N1CCN(C)CC1
InChIInChI=1S/2C7H15N3O.2C7H14N2O.2C7H13NO.4C2H6/c2*1-8-7(11)10-5-3-9(2)4-6-10;2*1-8-7(10)9-5-3-2-4-6-9;2*1-8-7(9)6-4-2-3-5-6;4*1-2/h2*3-6H2,1-2H3,(H,8,11);2*2-6H2,1H3,(H,8,10);2*6H,2-5H2,1H3,(H,8,9);4*1-2H3
InChIKeyAKECSNGYWBZKEU-UHFFFAOYSA-N
XLogP6.72
TPSA194.04 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500973.49
LogP ≤ 56.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze bis(N,4-dimethylpiperazine-1-carboxamide);ethane;bis(N-methylcyclopentanecarboxamide);bis(N-methylpiperidine-1-carboxamide) with MolForge

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Related Compounds

cis-(1S,3R)-3-amino-N-ethyl-N-propan-2-ylcyclopentane-1-carboxamide;N-ethyl-1-methyl-N-propan-2-ylpiperidine-3-carboxamide;N-ethyl-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;bis(N-[(3R)-piperidin-3-yl]-N-propan-2-ylacetamide);bis(N-[(3S)-piperidin-3-yl]-N-propan-2-ylacetamide);1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylpiperazine-1-carboxamide;1-(4-propan-2-ylpiperazin-1-yl)ethanone;(3S)-N-propan-2-ylpiperidin-3-amine;(3R)-N-propan-2-ylpiperidin-3-amine;trans-(1R,3R)-3-amino-N-ethyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 159506108
3-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-N-cyclopentyl-3-N-methylpiperidine-1,3-dicarboxamide
CID 127391111

Frequently Asked Questions

What is the IUPAC name of bis(N,4-dimethylpiperazine-1-carboxamide);ethane;bis(N-methylcyclopentanecarboxamide);bis(N-methylpiperidine-1-carboxamide)?
The IUPAC name of bis(N,4-dimethylpiperazine-1-carboxamide);ethane;bis(N-methylcyclopentanecarboxamide);bis(N-methylpiperidine-1-carboxamide) (CID 157140892) is bis(N,4-dimethylpiperazine-1-carboxamide);ethane;bis(N-methylcyclopentanecarboxamide);bis(N-methylpiperidine-1-carboxamide).
What is the SMILES notation for bis(N,4-dimethylpiperazine-1-carboxamide);ethane;bis(N-methylcyclopentanecarboxamide);bis(N-methylpiperidine-1-carboxamide)?
The canonical SMILES for bis(N,4-dimethylpiperazine-1-carboxamide);ethane;bis(N-methylcyclopentanecarboxamide);bis(N-methylpiperidine-1-carboxamide) is CC.CC.CC.CC.CNC(=O)C1CCCC1.CNC(=O)C1CCCC1.CNC(=O)N1CCCCC1.CNC(=O)N1CCCCC1.CNC(=O)N1CCN(C)CC1.CNC(=O)N1CCN(C)CC1.
What is the InChIKey of bis(N,4-dimethylpiperazine-1-carboxamide);ethane;bis(N-methylcyclopentanecarboxamide);bis(N-methylpiperidine-1-carboxamide)?
The InChIKey is AKECSNGYWBZKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15N3O.2C7H14N2O.2C7H13NO.4C2H6/c2*1-8-7(11)10-5-3-9(2)4-6-10;2*1-8-7(10)9-5-3-2-4-6-9;2*1-8-7(9)6-4-2-3-5-6;4*1-2/h2*3-6H2,1-2H3,(H,8,11);2*2-6H2,1H3,(H,8,10);2*6H,2-5H2,1H3,(H,8,9);4*1-2H3.
What are the key properties of bis(N,4-dimethylpiperazine-1-carboxamide);ethane;bis(N-methylcyclopentanecarboxamide);bis(N-methylpiperidine-1-carboxamide)?
bis(N,4-dimethylpiperazine-1-carboxamide);ethane;bis(N-methylcyclopentanecarboxamide);bis(N-methylpiperidine-1-carboxamide) has a molecular weight of 973.49 g/mol, XLogP of 6.72, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,4-dimethylpiperazine-1-carboxamide);ethane;bis(N-methylcyclopentanecarboxamide);bis(N-methylpiperidine-1-carboxamide) is sourced from PubChem (CID 157140892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).