N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide

C14H30N4O — CID 54860825

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C14H30N4O/c1-13(2)15-6-4-5-14(19)16-7-8-18-11-9-17(3)10-12-18/h13,15H,4-12H2,1-3H3,(H,16,19)
InChIKeyVRAJHEKLDHMVQY-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.13
Rot. Bonds8

About N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide

N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide (PubChem CID 54860825) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide
PubChem CID54860825
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C14H30N4O/c1-13(2)15-6-4-5-14(19)16-7-8-18-11-9-17(3)10-12-18/h13,15H,4-12H2,1-3H3,(H,16,19)
InChIKeyVRAJHEKLDHMVQY-UHFFFAOYSA-N
XLogP0.13
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 60850954
6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxoheptanamide
CID 140937076
1-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 60850574
5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 62438503
ethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen
CID 170620350
ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 170620948
ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide
CID 176967624
N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen
CID 171627808
N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 61240012
4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride
CID 119836634
3-[2-(4-methylpiperazin-1-yl)ethylamino]-3-oxopropanoic acid
CID 62230217
ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 178091821

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide (CID 54860825) is N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)NCCN1CCN(C)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide?
The InChIKey is VRAJHEKLDHMVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-13(2)15-6-4-5-14(19)16-7-8-18-11-9-17(3)10-12-18/h13,15H,4-12H2,1-3H3,(H,16,19).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide has a molecular weight of 270.42 g/mol, XLogP of 0.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 54860825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).