benzyl 4-(5-methoxy-2-methylindole-1-carbonyl)piperazine-1-carboxylate

C23H25N3O4 — CID 71733013

IUPACbenzyl 4-(5-methoxy-2-methylindole-1-carbonyl)piperazine-1-carboxylate
SMILESCOc1ccc2c(c1)cc(C)n2C(=O)N1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C23H25N3O4/c1-17-14-19-15-20(29-2)8-9-21(19)26(17)22(27)24-10-12-25(13-11-24)23(28)30-16-18-6-4-3-5-7-18/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyLOQWQIBKRZZKTO-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.88
Rot. Bonds3

About benzyl 4-(5-methoxy-2-methylindole-1-carbonyl)piperazine-1-carboxylate

benzyl 4-(5-methoxy-2-methylindole-1-carbonyl)piperazine-1-carboxylate (PubChem CID 71733013) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is benzyl 4-(5-methoxy-2-methylindole-1-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(5-methoxy-2-methylindole-1-carbonyl)piperazine-1-carboxylate
PubChem CID71733013
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Namebenzyl 4-(5-methoxy-2-methylindole-1-carbonyl)piperazine-1-carboxylate
SMILESCOc1ccc2c(c1)cc(C)n2C(=O)N1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C23H25N3O4/c1-17-14-19-15-20(29-2)8-9-21(19)26(17)22(27)24-10-12-25(13-11-24)23(28)30-16-18-6-4-3-5-7-18/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyLOQWQIBKRZZKTO-UHFFFAOYSA-N
XLogP3.88
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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benzyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]piperazine-1-carboxylate
CID 59419487
benzyl 4-[2-(3,4-dimethylphenoxy)acetyl]piperazine-1-carboxylate
CID 108568813
benzyl 3-(4-methoxyphenyl)azepane-1-carboxylate
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benzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate
CID 110290734
(3-methoxyphenyl)methyl piperazine-1-carboxylate
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CID 158057698

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(5-methoxy-2-methylindole-1-carbonyl)piperazine-1-carboxylate?
The IUPAC name of benzyl 4-(5-methoxy-2-methylindole-1-carbonyl)piperazine-1-carboxylate (CID 71733013) is benzyl 4-(5-methoxy-2-methylindole-1-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-(5-methoxy-2-methylindole-1-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-(5-methoxy-2-methylindole-1-carbonyl)piperazine-1-carboxylate is COc1ccc2c(c1)cc(C)n2C(=O)N1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(5-methoxy-2-methylindole-1-carbonyl)piperazine-1-carboxylate?
The InChIKey is LOQWQIBKRZZKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-17-14-19-15-20(29-2)8-9-21(19)26(17)22(27)24-10-12-25(13-11-24)23(28)30-16-18-6-4-3-5-7-18/h3-9,14-15H,10-13,16H2,1-2H3.
What are the key properties of benzyl 4-(5-methoxy-2-methylindole-1-carbonyl)piperazine-1-carboxylate?
benzyl 4-(5-methoxy-2-methylindole-1-carbonyl)piperazine-1-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(5-methoxy-2-methylindole-1-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 71733013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).