2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide

C22H30N4O2 — CID 113031151

IUPAC2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)cn1
InChIInChI=1S/C22H30N4O2/c1-4-17(5-2)22(27)24-21-11-8-19(16-23-21)26-14-12-25(13-15-26)18-6-9-20(28-3)10-7-18/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,23,24,27)
InChIKeyMUCHZKZNADLQCA-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.79
Rot. Bonds7

About 2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide

2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide (PubChem CID 113031151) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide
PubChem CID113031151
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)cn1
InChIInChI=1S/C22H30N4O2/c1-4-17(5-2)22(27)24-21-11-8-19(16-23-21)26-14-12-25(13-15-26)18-6-9-20(28-3)10-7-18/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,23,24,27)
InChIKeyMUCHZKZNADLQCA-UHFFFAOYSA-N
XLogP3.79
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide?
The IUPAC name of 2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide (CID 113031151) is 2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide?
The canonical SMILES for 2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide is CCC(CC)C(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)cn1.
What is the InChIKey of 2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide?
The InChIKey is MUCHZKZNADLQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-4-17(5-2)22(27)24-21-11-8-19(16-23-21)26-14-12-25(13-15-26)18-6-9-20(28-3)10-7-18/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,23,24,27).
What are the key properties of 2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide?
2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide has a molecular weight of 382.51 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide is sourced from PubChem (CID 113031151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).