N-(5-chloro-2-pyridinyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide

C16H25ClN4O2 — CID 95333683

IUPACN-(5-chloro-2-pyridinyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide
SMILESCC[C@H]1CN(CC(=O)Nc2ccc(Cl)cn2)CCN1CCOC
InChIInChI=1S/C16H25ClN4O2/c1-3-14-11-20(6-7-21(14)8-9-23-2)12-16(22)19-15-5-4-13(17)10-18-15/h4-5,10,14H,3,6-9,11-12H2,1-2H3,(H,18,19,22)/t14-/m0/s1
InChIKeyZUBXEQWDMLEPMK-AWEZNQCLSA-N
MW340.86 g/mol
LogP1.72
Rot. Bonds7

About N-(5-chloro-2-pyridinyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide

N-(5-chloro-2-pyridinyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide (PubChem CID 95333683) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide
PubChem CID95333683
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide
SMILESCC[C@H]1CN(CC(=O)Nc2ccc(Cl)cn2)CCN1CCOC
InChIInChI=1S/C16H25ClN4O2/c1-3-14-11-20(6-7-21(14)8-9-23-2)12-16(22)19-15-5-4-13(17)10-18-15/h4-5,10,14H,3,6-9,11-12H2,1-2H3,(H,18,19,22)/t14-/m0/s1
InChIKeyZUBXEQWDMLEPMK-AWEZNQCLSA-N
XLogP1.72
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide (CID 95333683) is N-(5-chloro-2-pyridinyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide is CC[C@H]1CN(CC(=O)Nc2ccc(Cl)cn2)CCN1CCOC.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide?
The InChIKey is ZUBXEQWDMLEPMK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25ClN4O2/c1-3-14-11-20(6-7-21(14)8-9-23-2)12-16(22)19-15-5-4-13(17)10-18-15/h4-5,10,14H,3,6-9,11-12H2,1-2H3,(H,18,19,22)/t14-/m0/s1.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide?
N-(5-chloro-2-pyridinyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide has a molecular weight of 340.86 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 95333683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).