N-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide

C20H27N3O2 — CID 99789227

IUPACN-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
SMILESO=C(NCCc1cc2ccccc2[nH]1)N1CCC([C@H]2CCCO2)CC1
InChIInChI=1S/C20H27N3O2/c24-20(23-11-8-15(9-12-23)19-6-3-13-25-19)21-10-7-17-14-16-4-1-2-5-18(16)22-17/h1-2,4-5,14-15,19,22H,3,6-13H2,(H,21,24)/t19-/m1/s1
InChIKeyJUGBLJJURJJODN-LJQANCHMSA-N
MW341.45 g/mol
LogP3.31
Rot. Bonds4

About N-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide

N-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide (PubChem CID 99789227) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
PubChem CID99789227
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
SMILESO=C(NCCc1cc2ccccc2[nH]1)N1CCC([C@H]2CCCO2)CC1
InChIInChI=1S/C20H27N3O2/c24-20(23-11-8-15(9-12-23)19-6-3-13-25-19)21-10-7-17-14-16-4-1-2-5-18(16)22-17/h1-2,4-5,14-15,19,22H,3,6-13H2,(H,21,24)/t19-/m1/s1
InChIKeyJUGBLJJURJJODN-LJQANCHMSA-N
XLogP3.31
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide (CID 99789227) is N-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide is O=C(NCCc1cc2ccccc2[nH]1)N1CCC([C@H]2CCCO2)CC1.
What is the InChIKey of N-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide?
The InChIKey is JUGBLJJURJJODN-LJQANCHMSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-20(23-11-8-15(9-12-23)19-6-3-13-25-19)21-10-7-17-14-16-4-1-2-5-18(16)22-17/h1-2,4-5,14-15,19,22H,3,6-13H2,(H,21,24)/t19-/m1/s1.
What are the key properties of N-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide?
N-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 99789227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).