3-[cyclohexyl(methyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one

C29H43N5O — CID 70692911

IUPAC3-[cyclohexyl(methyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one
SMILESCN(CCC(=O)N1CCN(CCNc2c3c(nc4ccccc24)CCCC3)CC1)C1CCCCC1
InChIInChI=1S/C29H43N5O/c1-32(23-9-3-2-4-10-23)17-15-28(35)34-21-19-33(20-22-34)18-16-30-29-24-11-5-7-13-26(24)31-27-14-8-6-12-25(27)29/h5,7,11,13,23H,2-4,6,8-10,12,14-22H2,1H3,(H,30,31)
InChIKeyLCJXIGPIXIZELV-UHFFFAOYSA-N
MW477.70 g/mol
LogP4.32
Rot. Bonds8

About 3-[cyclohexyl(methyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one

3-[cyclohexyl(methyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one (PubChem CID 70692911) has the molecular formula C29H43N5O and a molecular weight of 477.70 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one
PubChem CID70692911
Molecular FormulaC29H43N5O
Molecular Weight477.70 g/mol
Exact Mass477.35
IUPAC Name3-[cyclohexyl(methyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one
SMILESCN(CCC(=O)N1CCN(CCNc2c3c(nc4ccccc24)CCCC3)CC1)C1CCCCC1
InChIInChI=1S/C29H43N5O/c1-32(23-9-3-2-4-10-23)17-15-28(35)34-21-19-33(20-22-34)18-16-30-29-24-11-5-7-13-26(24)31-27-14-8-6-12-25(27)29/h5,7,11,13,23H,2-4,6,8-10,12,14-22H2,1H3,(H,30,31)
InChIKeyLCJXIGPIXIZELV-UHFFFAOYSA-N
XLogP4.32
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.70
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[cyclohexyl(methyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one (CID 70692911) is 3-[cyclohexyl(methyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[cyclohexyl(methyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[cyclohexyl(methyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one is CN(CCC(=O)N1CCN(CCNc2c3c(nc4ccccc24)CCCC3)CC1)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(methyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one?
The InChIKey is LCJXIGPIXIZELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N5O/c1-32(23-9-3-2-4-10-23)17-15-28(35)34-21-19-33(20-22-34)18-16-30-29-24-11-5-7-13-26(24)31-27-14-8-6-12-25(27)29/h5,7,11,13,23H,2-4,6,8-10,12,14-22H2,1H3,(H,30,31).
What are the key properties of 3-[cyclohexyl(methyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one?
3-[cyclohexyl(methyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one has a molecular weight of 477.70 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 70692911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).