1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

C17H21N3O3 — CID 122013321

IUPAC1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C17H21N3O3/c21-16(22)13-5-9-20(10-6-13)17(23)19-7-3-12-1-2-15-14(11-12)4-8-18-15/h1-2,4,8,11,13,18H,3,5-7,9-10H2,(H,19,23)(H,21,22)
InChIKeyVNTAKXICDPHSNM-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.22
Rot. Bonds4

About 1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 122013321) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID122013321
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C17H21N3O3/c21-16(22)13-5-9-20(10-6-13)17(23)19-7-3-12-1-2-15-14(11-12)4-8-18-15/h1-2,4,8,11,13,18H,3,5-7,9-10H2,(H,19,23)(H,21,22)
InChIKeyVNTAKXICDPHSNM-UHFFFAOYSA-N
XLogP2.22
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-N-[2-(1H-indol-5-yl)ethyl]piperidine-1-carboxamide
CID 136540342
1-[2-(1H-indol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122013333
1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid
CID 120512524
1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122008421
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122003126
1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 65231437
3-(1H-indol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 75444249
1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122013428
(3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide
CID 129346826
1-[2-(3-fluoro-4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122000671
1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122010196

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (CID 122013321) is 1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NCCc2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of 1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is VNTAKXICDPHSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-16(22)13-5-9-20(10-6-13)17(23)19-7-3-12-1-2-15-14(11-12)4-8-18-15/h1-2,4,8,11,13,18H,3,5-7,9-10H2,(H,19,23)(H,21,22).
What are the key properties of 1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122013321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).