ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide

C14H31N3O2 — CID 170620948

IUPACethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide
SMILESCC.COCCCC(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C12H25N3O2.C2H6/c1-14-7-9-15(10-8-14)6-5-13-12(16)4-3-11-17-2;1-2/h3-11H2,1-2H3,(H,13,16);1-2H3
InChIKeyBUTSKTZSRMETQY-UHFFFAOYSA-N
MW273.42 g/mol
LogP0.80
Rot. Bonds7

About ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide

ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide (PubChem CID 170620948) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide.

Molecular Properties

Compound Nameethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide
PubChem CID170620948
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Nameethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide
SMILESCC.COCCCC(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C12H25N3O2.C2H6/c1-14-7-9-15(10-8-14)6-5-13-12(16)4-3-11-17-2;1-2/h3-11H2,1-2H3,(H,13,16);1-2H3
InChIKeyBUTSKTZSRMETQY-UHFFFAOYSA-N
XLogP0.80
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen
CID 170620350
ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide
CID 176967624
6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxoheptanamide
CID 140937076
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide
CID 54860825
ethane;4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide
CID 177321622
3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109015495
3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 109014994
3-[2-(4-methylpiperazin-1-yl)ethylamino]-3-oxopropanoic acid
CID 62230217
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 60925043
N-(3-methoxypropyl)-3-piperazin-1-ylpropanamide
CID 28807760
N-methyl-2-[4-[4-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]acetyl]amino]ethyl]piperazin-1-yl]butoxy]acetamide
CID 134583067
4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide
CID 177321623

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide?
The IUPAC name of ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide (CID 170620948) is ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide.
What is the SMILES notation for ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide?
The canonical SMILES for ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide is CC.COCCCC(=O)NCCN1CCN(C)CC1.
What is the InChIKey of ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide?
The InChIKey is BUTSKTZSRMETQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2.C2H6/c1-14-7-9-15(10-8-14)6-5-13-12(16)4-3-11-17-2;1-2/h3-11H2,1-2H3,(H,13,16);1-2H3.
What are the key properties of ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide?
ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide has a molecular weight of 273.42 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide is sourced from PubChem (CID 170620948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).