3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide

C23H45N5O2 — CID 165060852

IUPAC3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide
SMILESCN1CCN(CCC(=O)CCCCCCCNC(=O)CCN2CCN(C)CC2)CC1
InChIInChI=1S/C23H45N5O2/c1-25-14-18-27(19-15-25)12-9-22(29)8-6-4-3-5-7-11-24-23(30)10-13-28-20-16-26(2)17-21-28/h3-21H2,1-2H3,(H,24,30)
InChIKeyRECPBKDMOFHDSA-UHFFFAOYSA-N
MW423.65 g/mol
LogP1.29
Rot. Bonds14

About 3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide

3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide (PubChem CID 165060852) has the molecular formula C23H45N5O2 and a molecular weight of 423.65 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide
PubChem CID165060852
Molecular FormulaC23H45N5O2
Molecular Weight423.65 g/mol
Exact Mass423.36
IUPAC Name3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide
SMILESCN1CCN(CCC(=O)CCCCCCCNC(=O)CCN2CCN(C)CC2)CC1
InChIInChI=1S/C23H45N5O2/c1-25-14-18-27(19-15-25)12-9-22(29)8-6-4-3-5-7-11-24-23(30)10-13-28-20-16-26(2)17-21-28/h3-21H2,1-2H3,(H,24,30)
InChIKeyRECPBKDMOFHDSA-UHFFFAOYSA-N
XLogP1.29
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.65
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide
CID 165007896
N-butyl-3-(4-methylpiperazin-1-yl)propanamide
CID 109012187
3-(4-methylpiperazin-1-yl)-N-propylpropanamide
CID 109011333
ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide
CID 176967624
3-(4-formylpiperazin-1-yl)-N-pentylpropanamide
CID 109017998
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521
N-butyl-3-(4-ethylpiperazin-1-yl)propanamide
CID 109012188
N-[4-(4-methylpiperazin-1-yl)butyl]acetamide
CID 110459248
N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide
CID 61251319
N-(8-oxotridecyl)hexanamide
CID 148531467
CID 58998076
CID 58998076
N-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide
CID 165361675

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide (CID 165060852) is 3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide is CN1CCN(CCC(=O)CCCCCCCNC(=O)CCN2CCN(C)CC2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide?
The InChIKey is RECPBKDMOFHDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N5O2/c1-25-14-18-27(19-15-25)12-9-22(29)8-6-4-3-5-7-11-24-23(30)10-13-28-20-16-26(2)17-21-28/h3-21H2,1-2H3,(H,24,30).
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide?
3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide has a molecular weight of 423.65 g/mol, XLogP of 1.29, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide is sourced from PubChem (CID 165060852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).