4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide

C15H30N4O2 — CID 110422402

IUPAC4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)CCN(CC)CC)CC1
InChIInChI=1S/C15H30N4O2/c1-4-8-16-15(21)19-12-10-18(11-13-19)14(20)7-9-17(5-2)6-3/h4-13H2,1-3H3,(H,16,21)
InChIKeyYJVDUNBZKUQKTB-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.98
Rot. Bonds7

About 4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide

4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide (PubChem CID 110422402) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide
PubChem CID110422402
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)CCN(CC)CC)CC1
InChIInChI=1S/C15H30N4O2/c1-4-8-16-15(21)19-12-10-18(11-13-19)14(20)7-9-17(5-2)6-3/h4-13H2,1-3H3,(H,16,21)
InChIKeyYJVDUNBZKUQKTB-UHFFFAOYSA-N
XLogP0.98
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butanoyl-N-propylpiperazine-1-carboxamide
CID 110810606
4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-sulfonamide
CID 110611641
4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide
CID 110421794
4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide
CID 110810662
N-butylaziridine-1-carboxamide
CID 55206947
N-propylmorpholine-4-carboxamide
CID 3410822
4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 23794806
4-[2-[cyclopentyl(methyl)amino]acetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 138806132
2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 28580194
N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 113221674
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
4-N,4-N-diethyl-1-N-[3-oxo-3-(propylamino)propyl]piperidine-1,4-dicarboxamide
CID 86870828

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide (CID 110422402) is 4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)CCN(CC)CC)CC1.
What is the InChIKey of 4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide?
The InChIKey is YJVDUNBZKUQKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-4-8-16-15(21)19-12-10-18(11-13-19)14(20)7-9-17(5-2)6-3/h4-13H2,1-3H3,(H,16,21).
What are the key properties of 4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide?
4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110422402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).