2-[4-[(2-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]acetamide

C13H23N5O — CID 115761657

IUPAC2-[4-[(2-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]acetamide
SMILESCCn1nccc1CNC1CCN(CC(N)=O)CC1
InChIInChI=1S/C13H23N5O/c1-2-18-12(3-6-16-18)9-15-11-4-7-17(8-5-11)10-13(14)19/h3,6,11,15H,2,4-5,7-10H2,1H3,(H2,14,19)
InChIKeyKDMXIXOBFZHSQC-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.06
Rot. Bonds6

About 2-[4-[(2-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]acetamide

2-[4-[(2-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]acetamide (PubChem CID 115761657) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-[(2-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]acetamide
PubChem CID115761657
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[4-[(2-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]acetamide
SMILESCCn1nccc1CNC1CCN(CC(N)=O)CC1
InChIInChI=1S/C13H23N5O/c1-2-18-12(3-6-16-18)9-15-11-4-7-17(8-5-11)10-13(14)19/h3,6,11,15H,2,4-5,7-10H2,1H3,(H2,14,19)
InChIKeyKDMXIXOBFZHSQC-UHFFFAOYSA-N
XLogP-0.06
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(2-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]acetamide (CID 115761657) is 2-[4-[(2-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(2-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(2-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]acetamide is CCn1nccc1CNC1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[(2-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]acetamide?
The InChIKey is KDMXIXOBFZHSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-18-12(3-6-16-18)9-15-11-4-7-17(8-5-11)10-13(14)19/h3,6,11,15H,2,4-5,7-10H2,1H3,(H2,14,19).
What are the key properties of 2-[4-[(2-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]acetamide?
2-[4-[(2-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]acetamide has a molecular weight of 265.36 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 115761657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).