4-propylpiperazine-1-carboxamide

C8H17N3O — CID 16792615

IUPAC4-propylpiperazine-1-carboxamide
SMILESCCCN1CCN(C(N)=O)CC1
InChIInChI=1S/C8H17N3O/c1-2-3-10-4-6-11(7-5-10)8(9)12/h2-7H2,1H3,(H2,9,12)
InChIKeyPABDRBMEQMCREJ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.09
Rot. Bonds2

About 4-propylpiperazine-1-carboxamide

4-propylpiperazine-1-carboxamide (PubChem CID 16792615) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-propylpiperazine-1-carboxamide
PubChem CID16792615
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name4-propylpiperazine-1-carboxamide
SMILESCCCN1CCN(C(N)=O)CC1
InChIInChI=1S/C8H17N3O/c1-2-3-10-4-6-11(7-5-10)8(9)12/h2-7H2,1H3,(H2,9,12)
InChIKeyPABDRBMEQMCREJ-UHFFFAOYSA-N
XLogP0.09
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-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-nonylpiperazine-1-carboxamide
CID 13213299
1-(4-propylpiperazin-1-yl)ethanone;tungsten
CID 59834183
4-(2-chloroethyl)piperazine-1-carboxamide
CID 2757510
ethane;1-(4-propylpiperazin-1-yl)propan-1-one
CID 171788369
1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 89072510
4-(3-hydroxypropyl)piperazine-1-carboxamide
CID 138521354
4-propylpiperazine-1-carboximidamide
CID 18176782
4-(aminomethyl)piperazine-1-carboxamide
CID 22006108
1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one
CID 178000242
4-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]piperazine-1-carboxamide
CID 122490706
2-amino-1-(4-propylpiperazin-1-yl)hexan-1-one
CID 60854021
(4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone
CID 60847754

Frequently Asked Questions

What is the IUPAC name of 4-propylpiperazine-1-carboxamide?
The IUPAC name of 4-propylpiperazine-1-carboxamide (CID 16792615) is 4-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-propylpiperazine-1-carboxamide is CCCN1CCN(C(N)=O)CC1.
What is the InChIKey of 4-propylpiperazine-1-carboxamide?
The InChIKey is PABDRBMEQMCREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-2-3-10-4-6-11(7-5-10)8(9)12/h2-7H2,1H3,(H2,9,12).
What are the key properties of 4-propylpiperazine-1-carboxamide?
4-propylpiperazine-1-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylpiperazine-1-carboxamide is sourced from PubChem (CID 16792615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).