2-(4-ethylpiperazin-1-yl)-N-methyl-N-(oxan-4-ylmethyl)-1,3-dihydroindene-2-carboxamide

C23H35N3O2 — CID 30722470

IUPAC2-(4-ethylpiperazin-1-yl)-N-methyl-N-(oxan-4-ylmethyl)-1,3-dihydroindene-2-carboxamide
SMILESCCN1CCN(C2(C(=O)N(C)CC3CCOCC3)Cc3ccccc3C2)CC1
InChIInChI=1S/C23H35N3O2/c1-3-25-10-12-26(13-11-25)23(16-20-6-4-5-7-21(20)17-23)22(27)24(2)18-19-8-14-28-15-9-19/h4-7,19H,3,8-18H2,1-2H3
InChIKeyZGKZLBCFECFCND-UHFFFAOYSA-N
MW385.55 g/mol
LogP2.05
Rot. Bonds5

About 2-(4-ethylpiperazin-1-yl)-N-methyl-N-(oxan-4-ylmethyl)-1,3-dihydroindene-2-carboxamide

2-(4-ethylpiperazin-1-yl)-N-methyl-N-(oxan-4-ylmethyl)-1,3-dihydroindene-2-carboxamide (PubChem CID 30722470) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-methyl-N-(oxan-4-ylmethyl)-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-methyl-N-(oxan-4-ylmethyl)-1,3-dihydroindene-2-carboxamide
PubChem CID30722470
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-methyl-N-(oxan-4-ylmethyl)-1,3-dihydroindene-2-carboxamide
SMILESCCN1CCN(C2(C(=O)N(C)CC3CCOCC3)Cc3ccccc3C2)CC1
InChIInChI=1S/C23H35N3O2/c1-3-25-10-12-26(13-11-25)23(16-20-6-4-5-7-21(20)17-23)22(27)24(2)18-19-8-14-28-15-9-19/h4-7,19H,3,8-18H2,1-2H3
InChIKeyZGKZLBCFECFCND-UHFFFAOYSA-N
XLogP2.05
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-methyl-N-(oxan-4-ylmethyl)-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-methyl-N-(oxan-4-ylmethyl)-1,3-dihydroindene-2-carboxamide (CID 30722470) is 2-(4-ethylpiperazin-1-yl)-N-methyl-N-(oxan-4-ylmethyl)-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-methyl-N-(oxan-4-ylmethyl)-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-methyl-N-(oxan-4-ylmethyl)-1,3-dihydroindene-2-carboxamide is CCN1CCN(C2(C(=O)N(C)CC3CCOCC3)Cc3ccccc3C2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-methyl-N-(oxan-4-ylmethyl)-1,3-dihydroindene-2-carboxamide?
The InChIKey is ZGKZLBCFECFCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-3-25-10-12-26(13-11-25)23(16-20-6-4-5-7-21(20)17-23)22(27)24(2)18-19-8-14-28-15-9-19/h4-7,19H,3,8-18H2,1-2H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-methyl-N-(oxan-4-ylmethyl)-1,3-dihydroindene-2-carboxamide?
2-(4-ethylpiperazin-1-yl)-N-methyl-N-(oxan-4-ylmethyl)-1,3-dihydroindene-2-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-methyl-N-(oxan-4-ylmethyl)-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 30722470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).