butanedioic acid;N,1-dimethyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrole-2-carboxamide

C25H36N4O6 — CID 46905402

IUPACbutanedioic acid;N,1-dimethyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrole-2-carboxamide
SMILESCNC(=O)c1ccc(CN2CCN(c3ccccc3OC(C)C)CC2)n1C.O=C(O)CCC(=O)O
InChIInChI=1S/C21H30N4O2.C4H6O4/c1-16(2)27-20-8-6-5-7-18(20)25-13-11-24(12-14-25)15-17-9-10-19(23(17)4)21(26)22-3;5-3(6)1-2-4(7)8/h5-10,16H,11-15H2,1-4H3,(H,22,26);1-2H2,(H,5,6)(H,7,8)
InChIKeyGTZNVYAEUSSGEP-UHFFFAOYSA-N
MW488.59 g/mol
LogP2.43
Rot. Bonds9

About butanedioic acid;N,1-dimethyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrole-2-carboxamide

butanedioic acid;N,1-dimethyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrole-2-carboxamide (PubChem CID 46905402) has the molecular formula C25H36N4O6 and a molecular weight of 488.59 g/mol. Its IUPAC name is butanedioic acid;N,1-dimethyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Namebutanedioic acid;N,1-dimethyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrole-2-carboxamide
PubChem CID46905402
Molecular FormulaC25H36N4O6
Molecular Weight488.59 g/mol
Exact Mass488.26
IUPAC Namebutanedioic acid;N,1-dimethyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrole-2-carboxamide
SMILESCNC(=O)c1ccc(CN2CCN(c3ccccc3OC(C)C)CC2)n1C.O=C(O)CCC(=O)O
InChIInChI=1S/C21H30N4O2.C4H6O4/c1-16(2)27-20-8-6-5-7-18(20)25-13-11-24(12-14-25)15-17-9-10-19(23(17)4)21(26)22-3;5-3(6)1-2-4(7)8/h5-10,16H,11-15H2,1-4H3,(H,22,26);1-2H2,(H,5,6)(H,7,8)
InChIKeyGTZNVYAEUSSGEP-UHFFFAOYSA-N
XLogP2.43
TPSA124.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze butanedioic acid;N,1-dimethyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrole-2-carboxamide with MolForge

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Related Compounds

butanedioic acid;N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]propane-2-sulfonamide
CID 46905421
butanedioic acid;N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]-N-propan-2-ylacetamide
CID 46905398
5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde
CID 102379277
butanedioic acid;5-fluoro-6-hydroxy-2-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 15985805
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109029549
N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077661
1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
CID 10520288
N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077668
1-[3-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-dione
CID 10047950
butanedioic acid;1-[[5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one
CID 46905409
4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103270
6-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid;hydrochloride
CID 10434667

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;N,1-dimethyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrole-2-carboxamide?
The IUPAC name of butanedioic acid;N,1-dimethyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrole-2-carboxamide (CID 46905402) is butanedioic acid;N,1-dimethyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for butanedioic acid;N,1-dimethyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for butanedioic acid;N,1-dimethyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrole-2-carboxamide is CNC(=O)c1ccc(CN2CCN(c3ccccc3OC(C)C)CC2)n1C.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;N,1-dimethyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrole-2-carboxamide?
The InChIKey is GTZNVYAEUSSGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2.C4H6O4/c1-16(2)27-20-8-6-5-7-18(20)25-13-11-24(12-14-25)15-17-9-10-19(23(17)4)21(26)22-3;5-3(6)1-2-4(7)8/h5-10,16H,11-15H2,1-4H3,(H,22,26);1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;N,1-dimethyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrole-2-carboxamide?
butanedioic acid;N,1-dimethyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrole-2-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 2.43, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;N,1-dimethyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 46905402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).