1-[1-[2-[5-(butanoylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide

C27H34N4O3 — CID 69265978

IUPAC1-[1-[2-[5-(butanoylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCCCC(=O)Nc1ccc(OC)c(CCN2CCC(n3ccc4ccc(C(N)=O)cc43)CC2)c1
InChIInChI=1S/C27H34N4O3/c1-3-4-26(32)29-22-7-8-25(34-2)20(17-22)9-13-30-14-11-23(12-15-30)31-16-10-19-5-6-21(27(28)33)18-24(19)31/h5-8,10,16-18,23H,3-4,9,11-15H2,1-2H3,(H2,28,33)(H,29,32)
InChIKeyFWROVUGDMHGBEN-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.37
Rot. Bonds9

About 1-[1-[2-[5-(butanoylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide

1-[1-[2-[5-(butanoylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 69265978) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 1-[1-[2-[5-(butanoylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[1-[2-[5-(butanoylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
PubChem CID69265978
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name1-[1-[2-[5-(butanoylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCCCC(=O)Nc1ccc(OC)c(CCN2CCC(n3ccc4ccc(C(N)=O)cc43)CC2)c1
InChIInChI=1S/C27H34N4O3/c1-3-4-26(32)29-22-7-8-25(34-2)20(17-22)9-13-30-14-11-23(12-15-30)31-16-10-19-5-6-21(27(28)33)18-24(19)31/h5-8,10,16-18,23H,3-4,9,11-15H2,1-2H3,(H2,28,33)(H,29,32)
InChIKeyFWROVUGDMHGBEN-UHFFFAOYSA-N
XLogP4.37
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[5-(butanoylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The IUPAC name of 1-[1-[2-[5-(butanoylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide (CID 69265978) is 1-[1-[2-[5-(butanoylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide.
What is the SMILES notation for 1-[1-[2-[5-(butanoylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The canonical SMILES for 1-[1-[2-[5-(butanoylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide is CCCC(=O)Nc1ccc(OC)c(CCN2CCC(n3ccc4ccc(C(N)=O)cc43)CC2)c1.
What is the InChIKey of 1-[1-[2-[5-(butanoylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The InChIKey is FWROVUGDMHGBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-3-4-26(32)29-22-7-8-25(34-2)20(17-22)9-13-30-14-11-23(12-15-30)31-16-10-19-5-6-21(27(28)33)18-24(19)31/h5-8,10,16-18,23H,3-4,9,11-15H2,1-2H3,(H2,28,33)(H,29,32).
What are the key properties of 1-[1-[2-[5-(butanoylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
1-[1-[2-[5-(butanoylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[5-(butanoylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 69265978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).