(4-cyclohexylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone

C28H34N4O — CID 71840996

IUPAC(4-cyclohexylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone
SMILESCc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C28H34N4O/c1-22-7-5-6-8-24(22)20-32-21-25(23-11-13-29-14-12-23)19-27(32)28(33)31-17-15-30(16-18-31)26-9-3-2-4-10-26/h5-8,11-14,19,21,26H,2-4,9-10,15-18,20H2,1H3
InChIKeyYEESTTFPABEXHU-UHFFFAOYSA-N
MW442.61 g/mol
LogP5.00
Rot. Bonds5

About (4-cyclohexylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone

(4-cyclohexylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone (PubChem CID 71840996) has the molecular formula C28H34N4O and a molecular weight of 442.61 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone
PubChem CID71840996
Molecular FormulaC28H34N4O
Molecular Weight442.61 g/mol
Exact Mass442.27
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone
SMILESCc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C28H34N4O/c1-22-7-5-6-8-24(22)20-32-21-25(23-11-13-29-14-12-23)19-27(32)28(33)31-17-15-30(16-18-31)26-9-3-2-4-10-26/h5-8,11-14,19,21,26H,2-4,9-10,15-18,20H2,1H3
InChIKeyYEESTTFPABEXHU-UHFFFAOYSA-N
XLogP5.00
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyclohexylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carbonyl]piperidine-4-carboxylate
CID 53159779
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone
CID 71841010
1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 17145729
1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 110708909
(4-methylpiperazin-1-yl)-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone
CID 71840944
3-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-3-(2-methylphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,5-dione
CID 45185282
1-[(2-methylphenyl)methyl]-2-pyridin-4-ylazepane
CID 112826237
(4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone
CID 62368670
2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone
CID 113074946
2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 136535913
(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 55584701
(4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-1-yl)methanone
CID 3225183

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone (CID 71840996) is (4-cyclohexylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone is Cc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone?
The InChIKey is YEESTTFPABEXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O/c1-22-7-5-6-8-24(22)20-32-21-25(23-11-13-29-14-12-23)19-27(32)28(33)31-17-15-30(16-18-31)26-9-3-2-4-10-26/h5-8,11-14,19,21,26H,2-4,9-10,15-18,20H2,1H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone?
(4-cyclohexylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone has a molecular weight of 442.61 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone is sourced from PubChem (CID 71840996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).