4-(3-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]piperazine-1-carboxamide

C27H28N4O2 — CID 112831737

IUPAC4-(3-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]piperazine-1-carboxamide
SMILESO=C(NCC(c1ccccc1)c1c[nH]c2ccccc12)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C27H28N4O2/c32-22-10-6-9-21(17-22)30-13-15-31(16-14-30)27(33)29-18-24(20-7-2-1-3-8-20)25-19-28-26-12-5-4-11-23(25)26/h1-12,17,19,24,28,32H,13-16,18H2,(H,29,33)
InChIKeyGHBZGQXLDNCLFW-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.54
Rot. Bonds5

About 4-(3-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]piperazine-1-carboxamide

4-(3-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]piperazine-1-carboxamide (PubChem CID 112831737) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]piperazine-1-carboxamide
PubChem CID112831737
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name4-(3-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]piperazine-1-carboxamide
SMILESO=C(NCC(c1ccccc1)c1c[nH]c2ccccc12)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C27H28N4O2/c32-22-10-6-9-21(17-22)30-13-15-31(16-14-30)27(33)29-18-24(20-7-2-1-3-8-20)25-19-28-26-12-5-4-11-23(25)26/h1-12,17,19,24,28,32H,13-16,18H2,(H,29,33)
InChIKeyGHBZGQXLDNCLFW-UHFFFAOYSA-N
XLogP4.54
TPSA71.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 112817793
4-(2-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide
CID 42934708
N-(1H-indol-3-yl)-4-phenylpiperazine-1-carboxamide
CID 7595792
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46553423
N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 112837389
3-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130101
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide
CID 46471647
1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 154834077
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 47083014

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]piperazine-1-carboxamide (CID 112831737) is 4-(3-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]piperazine-1-carboxamide is O=C(NCC(c1ccccc1)c1c[nH]c2ccccc12)N1CCN(c2cccc(O)c2)CC1.
What is the InChIKey of 4-(3-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]piperazine-1-carboxamide?
The InChIKey is GHBZGQXLDNCLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c32-22-10-6-9-21(17-22)30-13-15-31(16-14-30)27(33)29-18-24(20-7-2-1-3-8-20)25-19-28-26-12-5-4-11-23(25)26/h1-12,17,19,24,28,32H,13-16,18H2,(H,29,33).
What are the key properties of 4-(3-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]piperazine-1-carboxamide?
4-(3-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]piperazine-1-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 112831737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).