phenyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carboxylate

C21H25N3O3 — CID 110803594

IUPACphenyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carboxylate
SMILESCc1cc(C(=O)N2CCN(C(=O)Oc3ccccc3)CC2)c(C)n1C1CC1
InChIInChI=1S/C21H25N3O3/c1-15-14-19(16(2)24(15)17-8-9-17)20(25)22-10-12-23(13-11-22)21(26)27-18-6-4-3-5-7-18/h3-7,14,17H,8-13H2,1-2H3
InChIKeyMXPGIGOJUSMQNC-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.40
Rot. Bonds3

About phenyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carboxylate

phenyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carboxylate (PubChem CID 110803594) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is phenyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carboxylate
PubChem CID110803594
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Namephenyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carboxylate
SMILESCc1cc(C(=O)N2CCN(C(=O)Oc3ccccc3)CC2)c(C)n1C1CC1
InChIInChI=1S/C21H25N3O3/c1-15-14-19(16(2)24(15)17-8-9-17)20(25)22-10-12-23(13-11-22)21(26)27-18-6-4-3-5-7-18/h3-7,14,17H,8-13H2,1-2H3
InChIKeyMXPGIGOJUSMQNC-UHFFFAOYSA-N
XLogP3.40
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone
CID 36677795
ethyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110809062
4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carbaldehyde
CID 110698857
[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-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 17454186
[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 25492312
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110880478
cyclopropyl-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806548
phenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate
CID 108568141
1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807392
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 112823559
benzyl 4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 110659115

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of phenyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carboxylate (CID 110803594) is phenyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carboxylate is Cc1cc(C(=O)N2CCN(C(=O)Oc3ccccc3)CC2)c(C)n1C1CC1.
What is the InChIKey of phenyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is MXPGIGOJUSMQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-14-19(16(2)24(15)17-8-9-17)20(25)22-10-12-23(13-11-22)21(26)27-18-6-4-3-5-7-18/h3-7,14,17H,8-13H2,1-2H3.
What are the key properties of phenyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carboxylate?
phenyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 110803594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).