4-butanoyl-N-propylpiperazine-1-carboxamide

C12H23N3O2 — CID 110810606

IUPAC4-butanoyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)CCC)CC1
InChIInChI=1S/C12H23N3O2/c1-3-5-11(16)14-7-9-15(10-8-14)12(17)13-6-4-2/h3-10H2,1-2H3,(H,13,17)
InChIKeyWSGFCXFESIZRPI-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.05
Rot. Bonds4

About 4-butanoyl-N-propylpiperazine-1-carboxamide

4-butanoyl-N-propylpiperazine-1-carboxamide (PubChem CID 110810606) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-butanoyl-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-butanoyl-N-propylpiperazine-1-carboxamide
PubChem CID110810606
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-butanoyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)CCC)CC1
InChIInChI=1S/C12H23N3O2/c1-3-5-11(16)14-7-9-15(10-8-14)12(17)13-6-4-2/h3-10H2,1-2H3,(H,13,17)
InChIKeyWSGFCXFESIZRPI-UHFFFAOYSA-N
XLogP1.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide
CID 110422402
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
N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 113221674
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
4-(cyclopentanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 110364786
4-(cyanomethyl)-N-propylpiperazine-1-carboxamide
CID 60969051
4-[2-[cyclopentyl(methyl)amino]acetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 138806132

Frequently Asked Questions

What is the IUPAC name of 4-butanoyl-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-butanoyl-N-propylpiperazine-1-carboxamide (CID 110810606) is 4-butanoyl-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-butanoyl-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-butanoyl-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)CCC)CC1.
What is the InChIKey of 4-butanoyl-N-propylpiperazine-1-carboxamide?
The InChIKey is WSGFCXFESIZRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-5-11(16)14-7-9-15(10-8-14)12(17)13-6-4-2/h3-10H2,1-2H3,(H,13,17).
What are the key properties of 4-butanoyl-N-propylpiperazine-1-carboxamide?
4-butanoyl-N-propylpiperazine-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butanoyl-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110810606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).