1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-6-carbonitrile

C23H26N4O — CID 21201404

IUPAC1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-6-carbonitrile
SMILESCOc1ccccc1N1CCN(CCCn2ccc3ccc(C#N)cc32)CC1
InChIInChI=1S/C23H26N4O/c1-28-23-6-3-2-5-21(23)27-15-13-25(14-16-27)10-4-11-26-12-9-20-8-7-19(18-24)17-22(20)26/h2-3,5-9,12,17H,4,10-11,13-16H2,1H3
InChIKeyGNLPYVLRRAMDBK-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.73
Rot. Bonds6

About 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-6-carbonitrile

1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-6-carbonitrile (PubChem CID 21201404) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-6-carbonitrile.

Molecular Properties

Compound Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-6-carbonitrile
PubChem CID21201404
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-6-carbonitrile
SMILESCOc1ccccc1N1CCN(CCCn2ccc3ccc(C#N)cc32)CC1
InChIInChI=1S/C23H26N4O/c1-28-23-6-3-2-5-21(23)27-15-13-25(14-16-27)10-4-11-26-12-9-20-8-7-19(18-24)17-22(20)26/h2-3,5-9,12,17H,4,10-11,13-16H2,1H3
InChIKeyGNLPYVLRRAMDBK-UHFFFAOYSA-N
XLogP3.73
TPSA44.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile;hydrochloride
CID 11464426
3-chloro-4-[4-(2-methoxyphenyl)piperazin-1-yl]benzonitrile
CID 671275
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]indole-5-carbonitrile
CID 69489009
1-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]indole-6-carbonitrile
CID 141136986
1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine
CID 21481034
1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine
CID 172860872
1-[(2-fluoro-3-methoxyphenyl)methyl]indole-6-carbonitrile
CID 107917049
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
1-[4-[4-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)piperazin-1-yl]butyl]indole-6-carbonitrile
CID 91573973

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-6-carbonitrile?
The IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-6-carbonitrile (CID 21201404) is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-6-carbonitrile.
What is the SMILES notation for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-6-carbonitrile?
The canonical SMILES for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-6-carbonitrile is COc1ccccc1N1CCN(CCCn2ccc3ccc(C#N)cc32)CC1.
What is the InChIKey of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-6-carbonitrile?
The InChIKey is GNLPYVLRRAMDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-28-23-6-3-2-5-21(23)27-15-13-25(14-16-27)10-4-11-26-12-9-20-8-7-19(18-24)17-22(20)26/h2-3,5-9,12,17H,4,10-11,13-16H2,1H3.
What are the key properties of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-6-carbonitrile?
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-6-carbonitrile has a molecular weight of 374.49 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-6-carbonitrile is sourced from PubChem (CID 21201404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).