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

C26H34N4O3 — CID 42625211

IUPACN-[3-hydroxy-4-[4-(2-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
SMILESCCCOc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C26H34N4O3/c1-2-17-33-25-10-6-5-9-24(25)30-15-13-29(14-16-30)19-21(31)11-12-27-26(32)23-18-20-7-3-4-8-22(20)28-23/h3-10,18,21,28,31H,2,11-17,19H2,1H3,(H,27,32)
InChIKeyGLWWYTMRHNLGIT-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.26
Rot. Bonds10

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

N-[3-hydroxy-4-[4-(2-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide (PubChem CID 42625211) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[3-hydroxy-4-[4-(2-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[4-(2-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
PubChem CID42625211
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC NameN-[3-hydroxy-4-[4-(2-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
SMILESCCCOc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C26H34N4O3/c1-2-17-33-25-10-6-5-9-24(25)30-15-13-29(14-16-30)19-21(31)11-12-27-26(32)23-18-20-7-3-4-8-22(20)28-23/h3-10,18,21,28,31H,2,11-17,19H2,1H3,(H,27,32)
InChIKeyGLWWYTMRHNLGIT-UHFFFAOYSA-N
XLogP3.26
TPSA80.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[4-(2-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[3-hydroxy-4-[4-(2-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide (CID 42625211) is N-[3-hydroxy-4-[4-(2-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-hydroxy-4-[4-(2-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-hydroxy-4-[4-(2-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide is CCCOc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of N-[3-hydroxy-4-[4-(2-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The InChIKey is GLWWYTMRHNLGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-2-17-33-25-10-6-5-9-24(25)30-15-13-29(14-16-30)19-21(31)11-12-27-26(32)23-18-20-7-3-4-8-22(20)28-23/h3-10,18,21,28,31H,2,11-17,19H2,1H3,(H,27,32).
What are the key properties of N-[3-hydroxy-4-[4-(2-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
N-[3-hydroxy-4-[4-(2-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 3.26, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-[4-(2-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 42625211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).