pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate

C26H24N4O4 — CID 58417893

IUPACpyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate
SMILESO=C(Oc1cccnc1)N1CCN(C(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)CC1
InChIInChI=1S/C26H24N4O4/c31-25(29-11-13-30(14-12-29)26(32)34-22-7-4-10-27-17-22)24-16-20-15-21(8-9-23(20)28-24)33-18-19-5-2-1-3-6-19/h1-10,15-17,28H,11-14,18H2
InChIKeyXXWVVTRAEGXULR-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.10
Rot. Bonds5

About pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate

pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate (PubChem CID 58417893) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namepyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate
PubChem CID58417893
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Namepyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate
SMILESO=C(Oc1cccnc1)N1CCN(C(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)CC1
InChIInChI=1S/C26H24N4O4/c31-25(29-11-13-30(14-12-29)26(32)34-22-7-4-10-27-17-22)24-16-20-15-21(8-9-23(20)28-24)33-18-19-5-2-1-3-6-19/h1-10,15-17,28H,11-14,18H2
InChIKeyXXWVVTRAEGXULR-UHFFFAOYSA-N
XLogP4.10
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 1279407
1-O-benzyl 4-O-pyridin-3-yl piperazine-1,4-dicarboxylate
CID 58417900
(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 47839341
bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
CID 172736590
(6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55822131
molecular hydrogen;pyridin-3-yl 4-(1H-benzimidazole-2-carbonyl)piperazine-1-carboxylate
CID 143986416
(6-methyl-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11625102
pyridin-3-yl 4-(1-methylindole-2-carbonyl)piperazine-1-carboxylate
CID 46199909
(2-methoxyphenyl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 10970353
[5-[[4-[4-[(E)-4-hydroxybut-2-enoxy]-2-pyridinyl]pyrimidin-2-yl]methyl]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(2-methoxyethoxy)-2-pyridinyl]pyrimidin-2-yl]methyl]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-[4-(pyridin-3-ylmethoxy)-2-pyridinyl]pyrimidin-2-yl]methyl]-1H-indol-2-yl]methanone
CID 159726983
pyridin-3-yl 4-[(E)-3-phenylprop-2-enoyl]piperazine-1-carboxylate
CID 15950843

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate (CID 58417893) is pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate is O=C(Oc1cccnc1)N1CCN(C(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)CC1.
What is the InChIKey of pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is XXWVVTRAEGXULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c31-25(29-11-13-30(14-12-29)26(32)34-22-7-4-10-27-17-22)24-16-20-15-21(8-9-23(20)28-24)33-18-19-5-2-1-3-6-19/h1-10,15-17,28H,11-14,18H2.
What are the key properties of pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate?
pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 456.50 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 58417893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).