N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methoxy-1H-indole-2-carboxamide

C25H32N4O4 — CID 42626381

IUPACN-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCCC(O)CN3CCN(c4ccccc4OC)CC3)cc2c1
InChIInChI=1S/C25H32N4O4/c1-32-20-7-8-21-18(15-20)16-22(27-21)25(31)26-10-9-19(30)17-28-11-13-29(14-12-28)23-5-3-4-6-24(23)33-2/h3-8,15-16,19,27,30H,9-14,17H2,1-2H3,(H,26,31)
InChIKeySLERETJRSLMXIG-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.49
Rot. Bonds9

About N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methoxy-1H-indole-2-carboxamide

N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methoxy-1H-indole-2-carboxamide (PubChem CID 42626381) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methoxy-1H-indole-2-carboxamide
PubChem CID42626381
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCCC(O)CN3CCN(c4ccccc4OC)CC3)cc2c1
InChIInChI=1S/C25H32N4O4/c1-32-20-7-8-21-18(15-20)16-22(27-21)25(31)26-10-9-19(30)17-28-11-13-29(14-12-28)23-5-3-4-6-24(23)33-2/h3-8,15-16,19,27,30H,9-14,17H2,1-2H3,(H,26,31)
InChIKeySLERETJRSLMXIG-UHFFFAOYSA-N
XLogP2.49
TPSA90.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methoxy-1H-indole-2-carboxamide (CID 42626381) is N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NCCC(O)CN3CCN(c4ccccc4OC)CC3)cc2c1.
What is the InChIKey of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is SLERETJRSLMXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-32-20-7-8-21-18(15-20)16-22(27-21)25(31)26-10-9-19(30)17-28-11-13-29(14-12-28)23-5-3-4-6-24(23)33-2/h3-8,15-16,19,27,30H,9-14,17H2,1-2H3,(H,26,31).
What are the key properties of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methoxy-1H-indole-2-carboxamide?
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 2.49, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 42626381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).