N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(methylamino)butanamide

C14H30N4O — CID 119901708

IUPACN-[2-(4-ethylpiperazin-1-yl)propyl]-4-(methylamino)butanamide
SMILESCCN1CCN(C(C)CNC(=O)CCCNC)CC1
InChIInChI=1S/C14H30N4O/c1-4-17-8-10-18(11-9-17)13(2)12-16-14(19)6-5-7-15-3/h13,15H,4-12H2,1-3H3,(H,16,19)
InChIKeyHXNVNYMHKWMOCM-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.13
Rot. Bonds8

About N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(methylamino)butanamide

N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(methylamino)butanamide (PubChem CID 119901708) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)propyl]-4-(methylamino)butanamide
PubChem CID119901708
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)propyl]-4-(methylamino)butanamide
SMILESCCN1CCN(C(C)CNC(=O)CCCNC)CC1
InChIInChI=1S/C14H30N4O/c1-4-17-8-10-18(11-9-17)13(2)12-16-14(19)6-5-7-15-3/h13,15H,4-12H2,1-3H3,(H,16,19)
InChIKeyHXNVNYMHKWMOCM-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(methylamino)butanamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(methylamino)butanamide (CID 119901708) is N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(methylamino)butanamide is CCN1CCN(C(C)CNC(=O)CCCNC)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(methylamino)butanamide?
The InChIKey is HXNVNYMHKWMOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-4-17-8-10-18(11-9-17)13(2)12-16-14(19)6-5-7-15-3/h13,15H,4-12H2,1-3H3,(H,16,19).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(methylamino)butanamide?
N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(methylamino)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-ethylpiperazin-1-yl)propyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119901708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).