3-cyano-N-[1-[(3R)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide

C28H32N4O2 — CID 155522706

IUPAC3-cyano-N-[1-[(3R)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide
SMILESC[C@@H]1CN(C2CCc3c(NC(=O)c4cccc(C#N)c4)cccc32)CCN1C(=O)C1CCCC1
InChIInChI=1S/C28H32N4O2/c1-19-18-31(14-15-32(19)28(34)21-7-2-3-8-21)26-13-12-23-24(26)10-5-11-25(23)30-27(33)22-9-4-6-20(16-22)17-29/h4-6,9-11,16,19,21,26H,2-3,7-8,12-15,18H2,1H3,(H,30,33)/t19-,26?/m1/s1
InChIKeyNPKUAZHOMWGDIF-ICCFGIFFSA-N
MW456.59 g/mol
LogP4.52
Rot. Bonds4

About 3-cyano-N-[1-[(3R)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide

3-cyano-N-[1-[(3R)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide (PubChem CID 155522706) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 3-cyano-N-[1-[(3R)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-[(3R)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide
PubChem CID155522706
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name3-cyano-N-[1-[(3R)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide
SMILESC[C@@H]1CN(C2CCc3c(NC(=O)c4cccc(C#N)c4)cccc32)CCN1C(=O)C1CCCC1
InChIInChI=1S/C28H32N4O2/c1-19-18-31(14-15-32(19)28(34)21-7-2-3-8-21)26-13-12-23-24(26)10-5-11-25(23)30-27(33)22-9-4-6-20(16-22)17-29/h4-6,9-11,16,19,21,26H,2-3,7-8,12-15,18H2,1H3,(H,30,33)/t19-,26?/m1/s1
InChIKeyNPKUAZHOMWGDIF-ICCFGIFFSA-N
XLogP4.52
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 118865568
3-[(2S)-2-methylpiperidine-1-carbonyl]benzonitrile
CID 2553523
3-cyano-N-[3-[(3R,4R)-1-(cyclopentanecarbonyl)-3-methylpiperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]benzamide;molecular hydrogen
CID 145051007
N-[3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-3-methoxybenzamide
CID 118452243
3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18090514
3-cyano-N-[3-[(1S,5R)-3-(cyclopentanecarbonyl)-3-azabicyclo[3.2.1]octan-8-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 118977639
3-cyano-N-[3-[(5R)-3-(cyclopentanecarbonyl)-3-azabicyclo[3.2.1]octan-8-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 130340376
3-cyano-N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzamide
CID 155538714
3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide
CID 69182070
3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
CID 95051706
1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86988880
3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 40602464

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-[(3R)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide?
The IUPAC name of 3-cyano-N-[1-[(3R)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide (CID 155522706) is 3-cyano-N-[1-[(3R)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[1-[(3R)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide?
The canonical SMILES for 3-cyano-N-[1-[(3R)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide is C[C@@H]1CN(C2CCc3c(NC(=O)c4cccc(C#N)c4)cccc32)CCN1C(=O)C1CCCC1.
What is the InChIKey of 3-cyano-N-[1-[(3R)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide?
The InChIKey is NPKUAZHOMWGDIF-ICCFGIFFSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-19-18-31(14-15-32(19)28(34)21-7-2-3-8-21)26-13-12-23-24(26)10-5-11-25(23)30-27(33)22-9-4-6-20(16-22)17-29/h4-6,9-11,16,19,21,26H,2-3,7-8,12-15,18H2,1H3,(H,30,33)/t19-,26?/m1/s1.
What are the key properties of 3-cyano-N-[1-[(3R)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide?
3-cyano-N-[1-[(3R)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide has a molecular weight of 456.59 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-[(3R)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide is sourced from PubChem (CID 155522706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).