ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide

C15H33N3O — CID 176967624

IUPACethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide
SMILESCC.CCCNC(=O)CCCCN1CCN(C)CC1
InChIInChI=1S/C13H27N3O.C2H6/c1-3-7-14-13(17)6-4-5-8-16-11-9-15(2)10-12-16;1-2/h3-12H2,1-2H3,(H,14,17);1-2H3
InChIKeyOWGIUFINOUSHNR-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.96
Rot. Bonds7

About ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide

ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide (PubChem CID 176967624) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide.

Molecular Properties

Compound Nameethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide
PubChem CID176967624
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Nameethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide
SMILESCC.CCCNC(=O)CCCCN1CCN(C)CC1
InChIInChI=1S/C13H27N3O.C2H6/c1-3-7-14-13(17)6-4-5-8-16-11-9-15(2)10-12-16;1-2/h3-12H2,1-2H3,(H,14,17);1-2H3
InChIKeyOWGIUFINOUSHNR-UHFFFAOYSA-N
XLogP1.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylpiperazin-1-yl)-N-propylpropanamide
CID 109011333
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521
N-butyl-3-(4-methylpiperazin-1-yl)propanamide
CID 109012187
N-[3-(4-ethylpiperazin-1-yl)propyl]pentanamide
CID 144835640
ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 170620948
3-(4-acetylpiperazin-1-yl)-N-propylpropanamide
CID 109011336
N,N'-dipropyldecanediamide
CID 102239298
3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide
CID 165060852
ethane;N-propylheptanamide
CID 145289188
5-(4-propylpiperazin-1-yl)pentanehydrazide
CID 63568646
3-piperidin-1-yl-N-propylpropanamide
CID 110688262
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide
CID 54860825

Frequently Asked Questions

What is the IUPAC name of ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide?
The IUPAC name of ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide (CID 176967624) is ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide.
What is the SMILES notation for ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide?
The canonical SMILES for ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide is CC.CCCNC(=O)CCCCN1CCN(C)CC1.
What is the InChIKey of ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide?
The InChIKey is OWGIUFINOUSHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.C2H6/c1-3-7-14-13(17)6-4-5-8-16-11-9-15(2)10-12-16;1-2/h3-12H2,1-2H3,(H,14,17);1-2H3.
What are the key properties of ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide?
ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide has a molecular weight of 271.45 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide is sourced from PubChem (CID 176967624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).