4-(1-amino-1-oxopropan-2-yl)-N-propylpiperazine-1-carboxamide

C11H22N4O2 — CID 110750008

IUPAC4-(1-amino-1-oxopropan-2-yl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(C)C(N)=O)CC1
InChIInChI=1S/C11H22N4O2/c1-3-4-13-11(17)15-7-5-14(6-8-15)9(2)10(12)16/h9H,3-8H2,1-2H3,(H2,12,16)(H,13,17)
InChIKeyXBGASWYRRNLNOB-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.40
Rot. Bonds4

About 4-(1-amino-1-oxopropan-2-yl)-N-propylpiperazine-1-carboxamide

4-(1-amino-1-oxopropan-2-yl)-N-propylpiperazine-1-carboxamide (PubChem CID 110750008) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(1-amino-1-oxopropan-2-yl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-amino-1-oxopropan-2-yl)-N-propylpiperazine-1-carboxamide
PubChem CID110750008
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name4-(1-amino-1-oxopropan-2-yl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(C)C(N)=O)CC1
InChIInChI=1S/C11H22N4O2/c1-3-4-13-11(17)15-7-5-14(6-8-15)9(2)10(12)16/h9H,3-8H2,1-2H3,(H2,12,16)(H,13,17)
InChIKeyXBGASWYRRNLNOB-UHFFFAOYSA-N
XLogP-0.40
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1-amino-1-oxopropan-2-yl)-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-(1-amino-1-sulfanylidenebutan-2-yl)-N-propylpiperazine-1-carboxamide
CID 63344139
4-(1-amino-1-hydroxyiminopentan-2-yl)-N-propylpiperazine-1-carboxamide
CID 77012597
2-(4-acetylpiperazin-1-yl)propanamide
CID 60644667
4-butanoyl-N-propylpiperazine-1-carboxamide
CID 110810606
4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide
CID 110810662
N-butylaziridine-1-carboxamide
CID 55206947
2-[4-(2-methylsulfanylethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 63960354
N-propylmorpholine-4-carboxamide
CID 3410822
4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 23794806
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
4-(N'-hydroxycarbamimidoyl)-N-propylpiperidine-1-carboxamide
CID 77039009

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-1-oxopropan-2-yl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(1-amino-1-oxopropan-2-yl)-N-propylpiperazine-1-carboxamide (CID 110750008) is 4-(1-amino-1-oxopropan-2-yl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1-amino-1-oxopropan-2-yl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1-amino-1-oxopropan-2-yl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(C)C(N)=O)CC1.
What is the InChIKey of 4-(1-amino-1-oxopropan-2-yl)-N-propylpiperazine-1-carboxamide?
The InChIKey is XBGASWYRRNLNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-3-4-13-11(17)15-7-5-14(6-8-15)9(2)10(12)16/h9H,3-8H2,1-2H3,(H2,12,16)(H,13,17).
What are the key properties of 4-(1-amino-1-oxopropan-2-yl)-N-propylpiperazine-1-carboxamide?
4-(1-amino-1-oxopropan-2-yl)-N-propylpiperazine-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-1-oxopropan-2-yl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110750008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).