1-(cyclohexylmethyl)-3-(4-methylpiperazine-1-carbonyl)indole-6-carbonitrile

C22H28N4O — CID 69488577

IUPAC1-(cyclohexylmethyl)-3-(4-methylpiperazine-1-carbonyl)indole-6-carbonitrile
SMILESCN1CCN(C(=O)c2cn(CC3CCCCC3)c3cc(C#N)ccc23)CC1
InChIInChI=1S/C22H28N4O/c1-24-9-11-25(12-10-24)22(27)20-16-26(15-17-5-3-2-4-6-17)21-13-18(14-23)7-8-19(20)21/h7-8,13,16-17H,2-6,9-12,15H2,1H3
InChIKeyRYAKKMVPKFMZBD-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.48
Rot. Bonds3

About 1-(cyclohexylmethyl)-3-(4-methylpiperazine-1-carbonyl)indole-6-carbonitrile

1-(cyclohexylmethyl)-3-(4-methylpiperazine-1-carbonyl)indole-6-carbonitrile (PubChem CID 69488577) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-(4-methylpiperazine-1-carbonyl)indole-6-carbonitrile.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-(4-methylpiperazine-1-carbonyl)indole-6-carbonitrile
PubChem CID69488577
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name1-(cyclohexylmethyl)-3-(4-methylpiperazine-1-carbonyl)indole-6-carbonitrile
SMILESCN1CCN(C(=O)c2cn(CC3CCCCC3)c3cc(C#N)ccc23)CC1
InChIInChI=1S/C22H28N4O/c1-24-9-11-25(12-10-24)22(27)20-16-26(15-17-5-3-2-4-6-17)21-13-18(14-23)7-8-19(20)21/h7-8,13,16-17H,2-6,9-12,15H2,1H3
InChIKeyRYAKKMVPKFMZBD-UHFFFAOYSA-N
XLogP3.48
TPSA52.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-bromo-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 69491353
[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 69490579
[5-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-ethylpiperazin-1-yl)methanone;hydrochloride
CID 118717936
1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid
CID 23073174
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
[6-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 22573969
[1-(cyclopentylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 59016067
1-(cyclopropylmethyl)-6-fluoroindole-3-carboxylic acid
CID 23073204
1-(cyclopentylmethyl)-3-methylindole-6-carboxylic acid;hydrochloride
CID 67637530
(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 10735404
[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[(2R)-2-[(1S)-1-hydroxyethyl]-4-methylpiperazin-1-yl]methanone
CID 91453210
[6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 56839963

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-(4-methylpiperazine-1-carbonyl)indole-6-carbonitrile?
The IUPAC name of 1-(cyclohexylmethyl)-3-(4-methylpiperazine-1-carbonyl)indole-6-carbonitrile (CID 69488577) is 1-(cyclohexylmethyl)-3-(4-methylpiperazine-1-carbonyl)indole-6-carbonitrile.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-(4-methylpiperazine-1-carbonyl)indole-6-carbonitrile?
The canonical SMILES for 1-(cyclohexylmethyl)-3-(4-methylpiperazine-1-carbonyl)indole-6-carbonitrile is CN1CCN(C(=O)c2cn(CC3CCCCC3)c3cc(C#N)ccc23)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-(4-methylpiperazine-1-carbonyl)indole-6-carbonitrile?
The InChIKey is RYAKKMVPKFMZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-24-9-11-25(12-10-24)22(27)20-16-26(15-17-5-3-2-4-6-17)21-13-18(14-23)7-8-19(20)21/h7-8,13,16-17H,2-6,9-12,15H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-3-(4-methylpiperazine-1-carbonyl)indole-6-carbonitrile?
1-(cyclohexylmethyl)-3-(4-methylpiperazine-1-carbonyl)indole-6-carbonitrile has a molecular weight of 364.49 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-(4-methylpiperazine-1-carbonyl)indole-6-carbonitrile is sourced from PubChem (CID 69488577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).