3-[4-[4-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxamide

C24H29N3O2 — CID 19786736

IUPAC3-[4-[4-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxamide
SMILESNC(=O)c1ccc2c(CCCCN3CCC(c4ccc(O)cc4)CC3)c[nH]c2c1
InChIInChI=1S/C24H29N3O2/c25-24(29)19-6-9-22-20(16-26-23(22)15-19)3-1-2-12-27-13-10-18(11-14-27)17-4-7-21(28)8-5-17/h4-9,15-16,18,26,28H,1-3,10-14H2,(H2,25,29)
InChIKeyGXNIUJRSVSXQBI-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.17
Rot. Bonds7

About 3-[4-[4-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxamide

3-[4-[4-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxamide (PubChem CID 19786736) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-[4-[4-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3-[4-[4-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxamide
PubChem CID19786736
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-[4-[4-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxamide
SMILESNC(=O)c1ccc2c(CCCCN3CCC(c4ccc(O)cc4)CC3)c[nH]c2c1
InChIInChI=1S/C24H29N3O2/c25-24(29)19-6-9-22-20(16-26-23(22)15-19)3-1-2-12-27-13-10-18(11-14-27)17-4-7-21(28)8-5-17/h4-9,15-16,18,26,28H,1-3,10-14H2,(H2,25,29)
InChIKeyGXNIUJRSVSXQBI-UHFFFAOYSA-N
XLogP4.17
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-[3-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-6-carboxamide
CID 67883158
3-[4-[3-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19786740
3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxylic acid
CID 19786713
[3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indol-5-yl] hydrogen carbonate
CID 70412080
3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole
CID 70542429
3-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol
CID 70044138
3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide
CID 155258172
3-[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-indole-5-carboxamide
CID 57302731
3-[4-[4-(5-carbamoyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxamide
CID 21469442
3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol
CID 70044177
3-[1-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperidin-4-yl]-1H-indole-6-carboxamide
CID 22909472
4-(1-butylpiperidin-4-yl)phenol
CID 10663044

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxamide?
The IUPAC name of 3-[4-[4-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxamide (CID 19786736) is 3-[4-[4-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxamide.
What is the SMILES notation for 3-[4-[4-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxamide?
The canonical SMILES for 3-[4-[4-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxamide is NC(=O)c1ccc2c(CCCCN3CCC(c4ccc(O)cc4)CC3)c[nH]c2c1.
What is the InChIKey of 3-[4-[4-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxamide?
The InChIKey is GXNIUJRSVSXQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c25-24(29)19-6-9-22-20(16-26-23(22)15-19)3-1-2-12-27-13-10-18(11-14-27)17-4-7-21(28)8-5-17/h4-9,15-16,18,26,28H,1-3,10-14H2,(H2,25,29).
What are the key properties of 3-[4-[4-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxamide?
3-[4-[4-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 19786736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).