cyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone

C17H25N3O2 — CID 110801056

IUPACcyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1
InChIInChI=1S/C17H25N3O2/c1-18-8-7-15(13-18)17(22)20-11-9-19(10-12-20)16(21)14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3
InChIKeyPPGWOMSBQUQIBN-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.89
Rot. Bonds2

About cyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone

cyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 110801056) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is cyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID110801056
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Namecyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1
InChIInChI=1S/C17H25N3O2/c1-18-8-7-15(13-18)17(22)20-11-9-19(10-12-20)16(21)14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3
InChIKeyPPGWOMSBQUQIBN-UHFFFAOYSA-N
XLogP1.89
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
cycloheptyl-[4-(1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 137336165
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815355
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803075
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
(4-methylphenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808065
cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110803788
cyclohexyl-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544690
(4-fluorophenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808133
N-tert-butyl-4-(1-methylpyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 110813577

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone (CID 110801056) is cyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone is Cn1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1.
What is the InChIKey of cyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is PPGWOMSBQUQIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-18-8-7-15(13-18)17(22)20-11-9-19(10-12-20)16(21)14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3.
What are the key properties of cyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone?
cyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 303.41 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110801056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).