[4-[3-(2-hydroxyethyl)-1H-indol-5-yl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone

C25H29N3O4 — CID 155197004

IUPAC[4-[3-(2-hydroxyethyl)-1H-indol-5-yl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc3[nH]cc(CCO)c3c2)cc1)N1CCN(C(O)C2(O)CC2)CC1
InChIInChI=1S/C25H29N3O4/c29-14-7-20-16-26-22-6-5-19(15-21(20)22)17-1-3-18(4-2-17)23(30)27-10-12-28(13-11-27)24(31)25(32)8-9-25/h1-6,15-16,24,26,29,31-32H,7-14H2
InChIKeyXJUOZTYIPQDQRE-UHFFFAOYSA-N
MW435.52 g/mol
LogP1.97
Rot. Bonds6

About [4-[3-(2-hydroxyethyl)-1H-indol-5-yl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone

[4-[3-(2-hydroxyethyl)-1H-indol-5-yl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone (PubChem CID 155197004) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is [4-[3-(2-hydroxyethyl)-1H-indol-5-yl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[3-(2-hydroxyethyl)-1H-indol-5-yl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone
PubChem CID155197004
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name[4-[3-(2-hydroxyethyl)-1H-indol-5-yl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc3[nH]cc(CCO)c3c2)cc1)N1CCN(C(O)C2(O)CC2)CC1
InChIInChI=1S/C25H29N3O4/c29-14-7-20-16-26-22-6-5-19(15-21(20)22)17-1-3-18(4-2-17)23(30)27-10-12-28(13-11-27)24(31)25(32)8-9-25/h1-6,15-16,24,26,29,31-32H,7-14H2
InChIKeyXJUOZTYIPQDQRE-UHFFFAOYSA-N
XLogP1.97
TPSA100.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(5-amino-1,2-oxazol-3-yl)phenyl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone
CID 139379723
3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid
CID 19921669
5-[4-(11-oxo-4,7,10-triazaspiro[2.8]undecane-7-carbonyl)phenyl]-1H-indole-3-carbonitrile
CID 155267834
methyl 1-[3-(2-hydroxyethyl)-1H-indol-5-yl]cyclopropane-1-carboxylate
CID 135263211
2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 131953217
2-acetamido-3-[5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]propanoic acid
CID 167891871
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol
CID 118042200
2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 22485718
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1H-indol-4-yl)phenyl]methanone
CID 118621539
2-[5-(pyrrolidin-1-ylmethylsulfonyl)-1H-indol-3-yl]ethanol
CID 23584716
2,4-bis[4-[4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoyl]piperazin-1-yl]pentan-3-one
CID 175278548
2-(5-tert-butyl-1H-indol-3-yl)ethanol
CID 82277489

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-hydroxyethyl)-1H-indol-5-yl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [4-[3-(2-hydroxyethyl)-1H-indol-5-yl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone (CID 155197004) is [4-[3-(2-hydroxyethyl)-1H-indol-5-yl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-[3-(2-hydroxyethyl)-1H-indol-5-yl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-[3-(2-hydroxyethyl)-1H-indol-5-yl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone is O=C(c1ccc(-c2ccc3[nH]cc(CCO)c3c2)cc1)N1CCN(C(O)C2(O)CC2)CC1.
What is the InChIKey of [4-[3-(2-hydroxyethyl)-1H-indol-5-yl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone?
The InChIKey is XJUOZTYIPQDQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c29-14-7-20-16-26-22-6-5-19(15-21(20)22)17-1-3-18(4-2-17)23(30)27-10-12-28(13-11-27)24(31)25(32)8-9-25/h1-6,15-16,24,26,29,31-32H,7-14H2.
What are the key properties of [4-[3-(2-hydroxyethyl)-1H-indol-5-yl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone?
[4-[3-(2-hydroxyethyl)-1H-indol-5-yl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone has a molecular weight of 435.52 g/mol, XLogP of 1.97, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-hydroxyethyl)-1H-indol-5-yl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 155197004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).