N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-indole-5-carboxamide

C15H18N2O3 — CID 98783804

IUPACN-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-indole-5-carboxamide
SMILESO=C(N[C@H]1C[C@H](CO)[C@@H](O)C1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H18N2O3/c18-8-11-6-12(7-14(11)19)17-15(20)10-1-2-13-9(5-10)3-4-16-13/h1-5,11-12,14,16,18-19H,6-8H2,(H,17,20)/t11-,12+,14+/m1/s1
InChIKeyABYHUNPLZQMJGK-DYEKYZERSA-N
MW274.32 g/mol
LogP1.03
Rot. Bonds3

About N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-indole-5-carboxamide

N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-indole-5-carboxamide (PubChem CID 98783804) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-indole-5-carboxamide
PubChem CID98783804
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-indole-5-carboxamide
SMILESO=C(N[C@H]1C[C@H](CO)[C@@H](O)C1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H18N2O3/c18-8-11-6-12(7-14(11)19)17-15(20)10-1-2-13-9(5-10)3-4-16-13/h1-5,11-12,14,16,18-19H,6-8H2,(H,17,20)/t11-,12+,14+/m1/s1
InChIKeyABYHUNPLZQMJGK-DYEKYZERSA-N
XLogP1.03
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 97039827
N-(2,3-dihydro-1H-inden-2-yl)-1H-indole-5-carboxamide
CID 91395500
N-pyrrolidin-3-yl-1H-indole-5-carboxamide
CID 63747913
N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,3-benzodioxole-5-carboxamide
CID 97039811
2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid
CID 121494840
N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-pyrrol-1-ylbenzamide
CID 97039686
3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 98783757
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1H-indole-5-carboxamide
CID 110202451
N-(6-hydroxyhexyl)-1H-indole-5-carboxamide
CID 103918779
N-(azetidin-3-yl)-1H-indole-6-carboxamide
CID 66186513
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-indole-5-carboxamide
CID 107846667
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-indole-5-carboxamide (CID 98783804) is N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-indole-5-carboxamide is O=C(N[C@H]1C[C@H](CO)[C@@H](O)C1)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-indole-5-carboxamide?
The InChIKey is ABYHUNPLZQMJGK-DYEKYZERSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-8-11-6-12(7-14(11)19)17-15(20)10-1-2-13-9(5-10)3-4-16-13/h1-5,11-12,14,16,18-19H,6-8H2,(H,17,20)/t11-,12+,14+/m1/s1.
What are the key properties of N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-indole-5-carboxamide?
N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-indole-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.03, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 98783804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).