N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide

C15H24N4O — CID 120869682

IUPACN,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESCCN(CC)C(=O)CN1CCNCC1c1cccnc1
InChIInChI=1S/C15H24N4O/c1-3-18(4-2)15(20)12-19-9-8-17-11-14(19)13-6-5-7-16-10-13/h5-7,10,14,17H,3-4,8-9,11-12H2,1-2H3
InChIKeySEFDJNLOOOJEGI-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.90
Rot. Bonds5

About N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide

N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (PubChem CID 120869682) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
PubChem CID120869682
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESCCN(CC)C(=O)CN1CCNCC1c1cccnc1
InChIInChI=1S/C15H24N4O/c1-3-18(4-2)15(20)12-19-9-8-17-11-14(19)13-6-5-7-16-10-13/h5-7,10,14,17H,3-4,8-9,11-12H2,1-2H3
InChIKeySEFDJNLOOOJEGI-UHFFFAOYSA-N
XLogP0.90
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755259
N-methyl-N-(4-methylcyclohexyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754378
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755033
1-(4-methylpiperidin-1-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120754690
2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731770
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755989
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755770
N-(2,6-dimethylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755901
N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755971
N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755244
N-(1-adamantyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755899

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (CID 120869682) is N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is CCN(CC)C(=O)CN1CCNCC1c1cccnc1.
What is the InChIKey of N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The InChIKey is SEFDJNLOOOJEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-18(4-2)15(20)12-19-9-8-17-11-14(19)13-6-5-7-16-10-13/h5-7,10,14,17H,3-4,8-9,11-12H2,1-2H3.
What are the key properties of N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 120869682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).