2-[4-(3-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-1H-indene-5-carbonitrile

C22H23N3O — CID 167661972

IUPAC2-[4-(3-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1cccc(N2CCN(C(=O)C3Cc4ccc(C#N)cc4C3)CC2)c1
InChIInChI=1S/C22H23N3O/c1-16-3-2-4-21(11-16)24-7-9-25(10-8-24)22(26)20-13-18-6-5-17(15-23)12-19(18)14-20/h2-6,11-12,20H,7-10,13-14H2,1H3
InChIKeySBSXDHOTRKKCQO-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.93
Rot. Bonds2

About 2-[4-(3-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-1H-indene-5-carbonitrile

2-[4-(3-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 167661972) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID167661972
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2-[4-(3-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1cccc(N2CCN(C(=O)C3Cc4ccc(C#N)cc4C3)CC2)c1
InChIInChI=1S/C22H23N3O/c1-16-3-2-4-21(11-16)24-7-9-25(10-8-24)22(26)20-13-18-6-5-17(15-23)12-19(18)14-20/h2-6,11-12,20H,7-10,13-14H2,1H3
InChIKeySBSXDHOTRKKCQO-UHFFFAOYSA-N
XLogP2.93
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile
CID 113080898
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzonitrile
CID 17478919
(3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 154853506
[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131849
4-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzonitrile
CID 41388591
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
3-[[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile
CID 109029354
2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 112532321
3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]benzonitrile
CID 113080956
4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 113111248
[4-(3-methylphenyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
CID 84578391
[4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 18073007

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of 2-[4-(3-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-1H-indene-5-carbonitrile (CID 167661972) is 2-[4-(3-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for 2-[4-(3-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for 2-[4-(3-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-1H-indene-5-carbonitrile is Cc1cccc(N2CCN(C(=O)C3Cc4ccc(C#N)cc4C3)CC2)c1.
What is the InChIKey of 2-[4-(3-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is SBSXDHOTRKKCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-3-2-4-21(11-16)24-7-9-25(10-8-24)22(26)20-13-18-6-5-17(15-23)12-19(18)14-20/h2-6,11-12,20H,7-10,13-14H2,1H3.
What are the key properties of 2-[4-(3-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-1H-indene-5-carbonitrile?
2-[4-(3-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 345.45 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 167661972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).