4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride

C16H26ClN5O2 — CID 120621767

IUPAC4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)N1CCN(C(=O)Cc2ccc(N)cn2)CC1.Cl
InChIInChI=1S/C16H25N5O2.ClH/c1-3-19(4-2)16(23)21-9-7-20(8-10-21)15(22)11-14-6-5-13(17)12-18-14;/h5-6,12H,3-4,7-11,17H2,1-2H3;1H
InChIKeyCTHKGPKAFQPYQH-UHFFFAOYSA-N
MW355.87 g/mol
LogP1.23
Rot. Bonds4

About 4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride

4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride (PubChem CID 120621767) has the molecular formula C16H26ClN5O2 and a molecular weight of 355.87 g/mol. Its IUPAC name is 4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
PubChem CID120621767
Molecular FormulaC16H26ClN5O2
Molecular Weight355.87 g/mol
Exact Mass355.18
IUPAC Name4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)N1CCN(C(=O)Cc2ccc(N)cn2)CC1.Cl
InChIInChI=1S/C16H25N5O2.ClH/c1-3-19(4-2)16(23)21-9-7-20(8-10-21)15(22)11-14-6-5-13(17)12-18-14;/h5-6,12H,3-4,7-11,17H2,1-2H3;1H
InChIKeyCTHKGPKAFQPYQH-UHFFFAOYSA-N
XLogP1.23
TPSA82.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride (CID 120621767) is 4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride is CCN(CC)C(=O)N1CCN(C(=O)Cc2ccc(N)cn2)CC1.Cl.
What is the InChIKey of 4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is CTHKGPKAFQPYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2.ClH/c1-3-19(4-2)16(23)21-9-7-20(8-10-21)15(22)11-14-6-5-13(17)12-18-14;/h5-6,12H,3-4,7-11,17H2,1-2H3;1H.
What are the key properties of 4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride?
4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 120621767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).