N-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide

C25H32N4O2 — CID 86900731

IUPACN-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN1CCN(CCc2ccc(NC(=O)CNC(=O)c3ccc4c(c3)CCC4)cc2)CC1
InChIInChI=1S/C25H32N4O2/c1-28-13-15-29(16-14-28)12-11-19-5-9-23(10-6-19)27-24(30)18-26-25(31)22-8-7-20-3-2-4-21(20)17-22/h5-10,17H,2-4,11-16,18H2,1H3,(H,26,31)(H,27,30)
InChIKeyZNNHTJZJADTPBT-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.33
Rot. Bonds7

About N-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 86900731) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID86900731
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN1CCN(CCc2ccc(NC(=O)CNC(=O)c3ccc4c(c3)CCC4)cc2)CC1
InChIInChI=1S/C25H32N4O2/c1-28-13-15-29(16-14-28)12-11-19-5-9-23(10-6-19)27-24(30)18-26-25(31)22-8-7-20-3-2-4-21(20)17-22/h5-10,17H,2-4,11-16,18H2,1H3,(H,26,31)(H,27,30)
InChIKeyZNNHTJZJADTPBT-UHFFFAOYSA-N
XLogP2.33
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide
CID 42467160
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CID 9300971
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108
N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114618954
4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
CID 18876241
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424
4-acetamido-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)benzamide
CID 110793382
N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705854
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
CID 117368603
N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51943526
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 86897509
4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 86900731) is N-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide is CN1CCN(CCc2ccc(NC(=O)CNC(=O)c3ccc4c(c3)CCC4)cc2)CC1.
What is the InChIKey of N-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is ZNNHTJZJADTPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-28-13-15-29(16-14-28)12-11-19-5-9-23(10-6-19)27-24(30)18-26-25(31)22-8-7-20-3-2-4-21(20)17-22/h5-10,17H,2-4,11-16,18H2,1H3,(H,26,31)(H,27,30).
What are the key properties of N-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 86900731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).