3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide

C14H30N4O — CID 110442446

IUPAC3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide
SMILESCCN1CCN(CCCNC(=O)CCN(C)C)CC1
InChIInChI=1S/C14H30N4O/c1-4-17-10-12-18(13-11-17)8-5-7-15-14(19)6-9-16(2)3/h4-13H2,1-3H3,(H,15,19)
InChIKeyASTXXNCFFRFHTR-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.08
Rot. Bonds8

About 3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide

3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide (PubChem CID 110442446) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide
PubChem CID110442446
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide
SMILESCCN1CCN(CCCNC(=O)CCN(C)C)CC1
InChIInChI=1S/C14H30N4O/c1-4-17-10-12-18(13-11-17)8-5-7-15-14(19)6-9-16(2)3/h4-13H2,1-3H3,(H,15,19)
InChIKeyASTXXNCFFRFHTR-UHFFFAOYSA-N
XLogP0.08
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.08
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

N-[3-(4-ethylpiperazin-1-yl)propyl]pentanamide
CID 144835640
N-butyl-3-(4-ethylpiperazin-1-yl)propanamide
CID 109012188
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521
N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 60668593
N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide
CID 110441162
2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide
CID 110441795
4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide
CID 55662734
ethane;N-[3-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]propyl]propanamide
CID 171070832
2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide
CID 142043493
N-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 108995187
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55660267

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide (CID 110442446) is 3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide is CCN1CCN(CCCNC(=O)CCN(C)C)CC1.
What is the InChIKey of 3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide?
The InChIKey is ASTXXNCFFRFHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-4-17-10-12-18(13-11-17)8-5-7-15-14(19)6-9-16(2)3/h4-13H2,1-3H3,(H,15,19).
What are the key properties of 3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide?
3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide has a molecular weight of 270.42 g/mol, XLogP of 0.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 110442446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).