1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid

C17H24N2O2 — CID 82255857

IUPAC1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid
SMILESCC(Cc1ccc2c(c1)CCN2)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H24N2O2/c1-12(19-8-5-14(6-9-19)17(20)21)10-13-2-3-16-15(11-13)4-7-18-16/h2-3,11-12,14,18H,4-10H2,1H3,(H,20,21)
InChIKeyYUPFMFPQDMOPJV-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.38
Rot. Bonds4

About 1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid

1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid (PubChem CID 82255857) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid
PubChem CID82255857
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid
SMILESCC(Cc1ccc2c(c1)CCN2)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H24N2O2/c1-12(19-8-5-14(6-9-19)17(20)21)10-13-2-3-16-15(11-13)4-7-18-16/h2-3,11-12,14,18H,4-10H2,1H3,(H,20,21)
InChIKeyYUPFMFPQDMOPJV-UHFFFAOYSA-N
XLogP2.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxamide
CID 82257077
1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751496
1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid
CID 65053936
1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid
CID 82255711
1-[1-(4-methylsulfanylphenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751499
6-[2-(3-methylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinoline
CID 82255906
1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid
CID 82255755
1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]piperidine-3-carboxylic acid
CID 82260777
(3R)-1-[(2R)-1-phenylpropan-2-yl]pyrrolidine-3-carboxylic acid
CID 129413681
1-[(2S)-1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 40514699
1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol
CID 105457907
1-[1-(5-chloro-2-hydroxyphenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751510

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid (CID 82255857) is 1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid is CC(Cc1ccc2c(c1)CCN2)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid?
The InChIKey is YUPFMFPQDMOPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(19-8-5-14(6-9-19)17(20)21)10-13-2-3-16-15(11-13)4-7-18-16/h2-3,11-12,14,18H,4-10H2,1H3,(H,20,21).
What are the key properties of 1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid?
1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82255857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).