2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C14H21N5O2 — CID 71157049

IUPAC2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCC(=O)NC(CN1CCN(c2ccccn2)CC1)C(N)=O
InChIInChI=1S/C14H21N5O2/c1-11(20)17-12(14(15)21)10-18-6-8-19(9-7-18)13-4-2-3-5-16-13/h2-5,12H,6-10H2,1H3,(H2,15,21)(H,17,20)
InChIKeyCYJJYANSSIYPKN-UHFFFAOYSA-N
MW291.36 g/mol
LogP-0.81
Rot. Bonds5

About 2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 71157049) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID71157049
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCC(=O)NC(CN1CCN(c2ccccn2)CC1)C(N)=O
InChIInChI=1S/C14H21N5O2/c1-11(20)17-12(14(15)21)10-18-6-8-19(9-7-18)13-4-2-3-5-16-13/h2-5,12H,6-10H2,1H3,(H2,15,21)(H,17,20)
InChIKeyCYJJYANSSIYPKN-UHFFFAOYSA-N
XLogP-0.81
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide
CID 86910705
3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 80544367
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 13304715
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
methyl (2S,3R)-3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanoate
CID 8617314
1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-amine
CID 43650423
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
3,3,3-trifluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]propanethioamide
CID 103368489

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of 2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 71157049) is 2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for 2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for 2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is CC(=O)NC(CN1CCN(c2ccccn2)CC1)C(N)=O.
What is the InChIKey of 2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is CYJJYANSSIYPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-11(20)17-12(14(15)21)10-18-6-8-19(9-7-18)13-4-2-3-5-16-13/h2-5,12H,6-10H2,1H3,(H2,15,21)(H,17,20).
What are the key properties of 2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 291.36 g/mol, XLogP of -0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 71157049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).