(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone

C17H27N3O — CID 119401244

IUPAC(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCNCC2)c(C)n1C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-13-12-16(17(21)19-10-8-18-9-11-19)14(2)20(13)15-6-4-3-5-7-15/h12,15,18H,3-11H2,1-2H3
InChIKeyMNOFUXBKCGRYFM-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.66
Rot. Bonds2

About (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone

(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone (PubChem CID 119401244) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone
PubChem CID119401244
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCNCC2)c(C)n1C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-13-12-16(17(21)19-10-8-18-9-11-19)14(2)20(13)15-6-4-3-5-7-15/h12,15,18H,3-11H2,1-2H3
InChIKeyMNOFUXBKCGRYFM-UHFFFAOYSA-N
XLogP2.66
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone 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

[4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 55564192
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561064
[4-(1-aminoethyl)piperidin-1-yl]-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methanone;hydrochloride
CID 119518049
1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251307
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methanone
CID 124611414
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119622789
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methanone;hydrochloride
CID 120816019
1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256719
cyclopropyl-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806548
[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone
CID 110815769
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809950
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612763

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone?
The IUPAC name of (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone (CID 119401244) is (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone is Cc1cc(C(=O)N2CCNCC2)c(C)n1C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone?
The InChIKey is MNOFUXBKCGRYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-12-16(17(21)19-10-8-18-9-11-19)14(2)20(13)15-6-4-3-5-7-15/h12,15,18H,3-11H2,1-2H3.
What are the key properties of (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone?
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone has a molecular weight of 289.42 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 119401244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).