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

C15H28N4O2 — CID 67624323

IUPAC3-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide
SMILESNCCC(=O)NC(=O)CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C15H28N4O2/c16-7-6-14(20)17-15(21)12-18-8-10-19(11-9-18)13-4-2-1-3-5-13/h13H,1-12,16H2,(H,17,20,21)
InChIKeyAKHBFBPADSVPPM-UHFFFAOYSA-N
MW296.42 g/mol
LogP-0.07
Rot. Bonds5

About 3-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide

3-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide (PubChem CID 67624323) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 3-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide
PubChem CID67624323
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name3-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide
SMILESNCCC(=O)NC(=O)CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C15H28N4O2/c16-7-6-14(20)17-15(21)12-18-8-10-19(11-9-18)13-4-2-1-3-5-13/h13H,1-12,16H2,(H,17,20,21)
InChIKeyAKHBFBPADSVPPM-UHFFFAOYSA-N
XLogP-0.07
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
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 3-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide?
The IUPAC name of 3-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide (CID 67624323) is 3-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide is NCCC(=O)NC(=O)CN1CCN(C2CCCCC2)CC1.
What is the InChIKey of 3-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide?
The InChIKey is AKHBFBPADSVPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c16-7-6-14(20)17-15(21)12-18-8-10-19(11-9-18)13-4-2-1-3-5-13/h13H,1-12,16H2,(H,17,20,21).
What are the key properties of 3-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide?
3-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide has a molecular weight of 296.42 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-cyclohexylpiperazin-1-yl)acetyl]propanamide is sourced from PubChem (CID 67624323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).