ethyl 4-[[1-methyl-2-[[(E)-5-methylhex-2-en-2-yl]carbamoyl]indol-7-yl]methyl]piperazine-1-carboxylate

C25H36N4O3 — CID 143195677

IUPACethyl 4-[[1-methyl-2-[[(E)-5-methylhex-2-en-2-yl]carbamoyl]indol-7-yl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2cccc3cc(C(=O)N/C(C)=C/CC(C)C)n(C)c23)CC1
InChIInChI=1S/C25H36N4O3/c1-6-32-25(31)29-14-12-28(13-15-29)17-21-9-7-8-20-16-22(27(5)23(20)21)24(30)26-19(4)11-10-18(2)3/h7-9,11,16,18H,6,10,12-15,17H2,1-5H3,(H,26,30)/b19-11+
InChIKeyCZWIDDKDOZYFPR-YBFXNURJSA-N
MW440.59 g/mol
LogP4.13
Rot. Bonds7

About ethyl 4-[[1-methyl-2-[[(E)-5-methylhex-2-en-2-yl]carbamoyl]indol-7-yl]methyl]piperazine-1-carboxylate

ethyl 4-[[1-methyl-2-[[(E)-5-methylhex-2-en-2-yl]carbamoyl]indol-7-yl]methyl]piperazine-1-carboxylate (PubChem CID 143195677) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is ethyl 4-[[1-methyl-2-[[(E)-5-methylhex-2-en-2-yl]carbamoyl]indol-7-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-methyl-2-[[(E)-5-methylhex-2-en-2-yl]carbamoyl]indol-7-yl]methyl]piperazine-1-carboxylate
PubChem CID143195677
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Nameethyl 4-[[1-methyl-2-[[(E)-5-methylhex-2-en-2-yl]carbamoyl]indol-7-yl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2cccc3cc(C(=O)N/C(C)=C/CC(C)C)n(C)c23)CC1
InChIInChI=1S/C25H36N4O3/c1-6-32-25(31)29-14-12-28(13-15-29)17-21-9-7-8-20-16-22(27(5)23(20)21)24(30)26-19(4)11-10-18(2)3/h7-9,11,16,18H,6,10,12-15,17H2,1-5H3,(H,26,30)/b19-11+
InChIKeyCZWIDDKDOZYFPR-YBFXNURJSA-N
XLogP4.13
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[1-methyl-2-[[(E)-5-methylhex-2-en-2-yl]carbamoyl]indol-7-yl]methyl]piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[2-[(5-tert-butyl-2-methoxy-3-pyridinyl)carbamoyl]-1-methylindol-7-yl]methyl]piperazine-1-carboxylate
CID 58608257
1-methyl-7-[(4-propanoylpiperazin-1-yl)methyl]indole-2-carboxylic acid
CID 68535416
ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate
CID 110853989
ethyl 4-[(2-bromophenyl)methyl]piperazine-1-carboxylate
CID 782501
N-[5-tert-butyl-2-methoxy-3-(methylsulfanylamino)phenyl]-1-methyl-7-[(4-oxamoylpiperazin-1-yl)methyl]indole-2-carboxamide
CID 143195680
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[4-(2-pyrrolidin-1-ylpropanoyl)piperazin-1-yl]methyl]indole-2-carboxamide
CID 46190417
ethyl 4-[(2,6-dichloro-3-pyridinyl)methyl]piperazine-1-carboxylate
CID 107260719
ethyl 4-[(2-carbamothioylphenyl)methyl]piperazine-1-carboxylate
CID 107877007
N-[3-(methanesulfonamido)-2-methoxy-5-(2-methylpropyl)phenyl]-1-methyl-7-(piperazin-1-ylmethyl)indole-2-carboxamide
CID 58493950
ethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate
CID 109003865
ethyl 4-[[1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
CID 666287
(2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 119834679

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-methyl-2-[[(E)-5-methylhex-2-en-2-yl]carbamoyl]indol-7-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-methyl-2-[[(E)-5-methylhex-2-en-2-yl]carbamoyl]indol-7-yl]methyl]piperazine-1-carboxylate (CID 143195677) is ethyl 4-[[1-methyl-2-[[(E)-5-methylhex-2-en-2-yl]carbamoyl]indol-7-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-methyl-2-[[(E)-5-methylhex-2-en-2-yl]carbamoyl]indol-7-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-methyl-2-[[(E)-5-methylhex-2-en-2-yl]carbamoyl]indol-7-yl]methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2cccc3cc(C(=O)N/C(C)=C/CC(C)C)n(C)c23)CC1.
What is the InChIKey of ethyl 4-[[1-methyl-2-[[(E)-5-methylhex-2-en-2-yl]carbamoyl]indol-7-yl]methyl]piperazine-1-carboxylate?
The InChIKey is CZWIDDKDOZYFPR-YBFXNURJSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-6-32-25(31)29-14-12-28(13-15-29)17-21-9-7-8-20-16-22(27(5)23(20)21)24(30)26-19(4)11-10-18(2)3/h7-9,11,16,18H,6,10,12-15,17H2,1-5H3,(H,26,30)/b19-11+.
What are the key properties of ethyl 4-[[1-methyl-2-[[(E)-5-methylhex-2-en-2-yl]carbamoyl]indol-7-yl]methyl]piperazine-1-carboxylate?
ethyl 4-[[1-methyl-2-[[(E)-5-methylhex-2-en-2-yl]carbamoyl]indol-7-yl]methyl]piperazine-1-carboxylate has a molecular weight of 440.59 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-methyl-2-[[(E)-5-methylhex-2-en-2-yl]carbamoyl]indol-7-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 143195677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).