2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid

C16H19N3O3 — CID 121494840

IUPAC2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(NC(=O)c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C16H19N3O3/c20-15(21)10-19-7-4-13(5-8-19)18-16(22)12-1-2-14-11(9-12)3-6-17-14/h1-3,6,9,13,17H,4-5,7-8,10H2,(H,18,22)(H,20,21)
InChIKeyLXEMDLXPMRUJFS-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.45
Rot. Bonds4

About 2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid

2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid (PubChem CID 121494840) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid
PubChem CID121494840
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(NC(=O)c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C16H19N3O3/c20-15(21)10-19-7-4-13(5-8-19)18-16(22)12-1-2-14-11(9-12)3-6-17-14/h1-3,6,9,13,17H,4-5,7-8,10H2,(H,18,22)(H,20,21)
InChIKeyLXEMDLXPMRUJFS-UHFFFAOYSA-N
XLogP1.45
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 67713635
N-pyrrolidin-3-yl-1H-indole-5-carboxamide
CID 63747913
N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1H-indole-5-carboxamide
CID 124591554
N-(2,3-dihydro-1H-inden-2-yl)-1H-indole-5-carboxamide
CID 91395500
3-(1H-indol-5-yl)-3-oxopropanoic acid
CID 170886874
N-cyclohexyl-1H-indole-6-carboxamide
CID 39706974
N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide
CID 10713693
N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-indole-5-carboxamide
CID 98783804
N-(azetidin-3-yl)-1H-indole-6-carboxamide
CID 66186513
N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 162475306
N-(2-piperazin-1-ylethyl)-1H-indole-5-carboxamide
CID 63747724
2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid
CID 99599206

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid (CID 121494840) is 2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid is O=C(O)CN1CCC(NC(=O)c2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of 2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid?
The InChIKey is LXEMDLXPMRUJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-15(21)10-19-7-4-13(5-8-19)18-16(22)12-1-2-14-11(9-12)3-6-17-14/h1-3,6,9,13,17H,4-5,7-8,10H2,(H,18,22)(H,20,21).
What are the key properties of 2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid?
2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid has a molecular weight of 301.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid is sourced from PubChem (CID 121494840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).