[4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone

C23H35N3O2 — CID 55564192

IUPAC[4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
SMILESCc1cc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c(C)n1C1CCCCC1
InChIInChI=1S/C23H35N3O2/c1-17-16-21(18(2)26(17)20-10-4-3-5-11-20)23(28)25-14-12-24(13-15-25)22(27)19-8-6-7-9-19/h16,19-20H,3-15H2,1-2H3
InChIKeyMFHMGCCCEYJGSW-UHFFFAOYSA-N
MW385.55 g/mol
LogP4.08
Rot. Bonds3

About [4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone

[4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone (PubChem CID 55564192) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is [4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
PubChem CID55564192
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name[4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
SMILESCc1cc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c(C)n1C1CCCCC1
InChIInChI=1S/C23H35N3O2/c1-17-16-21(18(2)26(17)20-10-4-3-5-11-20)23(28)25-14-12-24(13-15-25)22(27)19-8-6-7-9-19/h16,19-20H,3-15H2,1-2H3
InChIKeyMFHMGCCCEYJGSW-UHFFFAOYSA-N
XLogP4.08
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806548
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone
CID 119401244
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561064
cyclohexyl-[4-(1,2,5-trimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110807056
[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
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809950
cyclopropyl-[4-(1,2,5-trimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806546
4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carbaldehyde
CID 110698857
1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807392
[(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

Frequently Asked Questions

What is the IUPAC name of [4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone (CID 55564192) is [4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone is Cc1cc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c(C)n1C1CCCCC1.
What is the InChIKey of [4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone?
The InChIKey is MFHMGCCCEYJGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-17-16-21(18(2)26(17)20-10-4-3-5-11-20)23(28)25-14-12-24(13-15-25)22(27)19-8-6-7-9-19/h16,19-20H,3-15H2,1-2H3.
What are the key properties of [4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone?
[4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone has a molecular weight of 385.55 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 55564192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).