2-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide

C15H28N4O2 — CID 67636323

IUPAC2-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide
SMILESCC(N)C(=O)NC(=O)CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C15H28N4O2/c1-12(16)15(21)17-14(20)11-18-7-9-19(10-8-18)13-5-3-2-4-6-13/h12-13H,2-11,16H2,1H3,(H,17,20,21)
InChIKeyXKPOOAVHTGEPJL-UHFFFAOYSA-N
MW296.41 g/mol
LogP-0.07
Rot. Bonds4

About 2-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide

2-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide (PubChem CID 67636323) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide
PubChem CID67636323
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name2-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide
SMILESCC(N)C(=O)NC(=O)CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C15H28N4O2/c1-12(16)15(21)17-14(20)11-18-7-9-19(10-8-18)13-5-3-2-4-6-13/h12-13H,2-11,16H2,1H3,(H,17,20,21)
InChIKeyXKPOOAVHTGEPJL-UHFFFAOYSA-N
XLogP-0.07
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide?
The IUPAC name of 2-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide (CID 67636323) is 2-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide.
What is the SMILES notation for 2-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide?
The canonical SMILES for 2-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide is CC(N)C(=O)NC(=O)CN1CCN(C2CCCCC2)CC1.
What is the InChIKey of 2-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide?
The InChIKey is XKPOOAVHTGEPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-12(16)15(21)17-14(20)11-18-7-9-19(10-8-18)13-5-3-2-4-6-13/h12-13H,2-11,16H2,1H3,(H,17,20,21).
What are the key properties of 2-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide?
2-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide has a molecular weight of 296.41 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide is sourced from PubChem (CID 67636323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).