ethyl 1-(1H-indol-2-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate

C23H32N2O3 — CID 25299071

IUPACethyl 1-(1H-indol-2-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(C[C@H]2CCCCO2)CCN(Cc2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H32N2O3/c1-2-27-22(26)23(16-20-8-5-6-14-28-20)10-12-25(13-11-23)17-19-15-18-7-3-4-9-21(18)24-19/h3-4,7,9,15,20,24H,2,5-6,8,10-14,16-17H2,1H3/t20-/m1/s1
InChIKeyGFOQPIMADNTODH-HXUWFJFHSA-N
MW384.52 g/mol
LogP4.27
Rot. Bonds6

About ethyl 1-(1H-indol-2-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate

ethyl 1-(1H-indol-2-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate (PubChem CID 25299071) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is ethyl 1-(1H-indol-2-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1H-indol-2-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate
PubChem CID25299071
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Nameethyl 1-(1H-indol-2-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(C[C@H]2CCCCO2)CCN(Cc2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H32N2O3/c1-2-27-22(26)23(16-20-8-5-6-14-28-20)10-12-25(13-11-23)17-19-15-18-7-3-4-9-21(18)24-19/h3-4,7,9,15,20,24H,2,5-6,8,10-14,16-17H2,1H3/t20-/m1/s1
InChIKeyGFOQPIMADNTODH-HXUWFJFHSA-N
XLogP4.27
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(1H-indol-2-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(2-phenylethyl)piperidine-4-carboxylate
CID 25447850
ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 42117656
ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate
CID 45241326
ethyl 1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-4-[[(2S)-oxan-2-yl]methyl]piperidine-4-carboxylate
CID 42460174
ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(3-prop-2-enoxybenzoyl)piperidine-4-carboxylate
CID 42459916
ethyl 4-(cyclopropylmethyl)-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate
CID 42567257
ethyl 1-[(5-chloro-2-methoxyphenyl)carbamoyl]-4-[[(2S)-oxan-2-yl]methyl]piperidine-4-carboxylate
CID 25293826
ethyl 1-(oxolan-2-ylmethyl)-4-phenylpiperidine-4-carboxylate
CID 11971870
1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylic acid
CID 56867805
N-[[(3S)-1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-2-methylpropanamide
CID 95208919
ethyl 2-(aminomethyl)-3-(oxan-2-yl)-2-phenylpropanoate
CID 106509550
1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol
CID 156898163

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1H-indol-2-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1H-indol-2-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate (CID 25299071) is ethyl 1-(1H-indol-2-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1H-indol-2-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1H-indol-2-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1(C[C@H]2CCCCO2)CCN(Cc2cc3ccccc3[nH]2)CC1.
What is the InChIKey of ethyl 1-(1H-indol-2-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate?
The InChIKey is GFOQPIMADNTODH-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-2-27-22(26)23(16-20-8-5-6-14-28-20)10-12-25(13-11-23)17-19-15-18-7-3-4-9-21(18)24-19/h3-4,7,9,15,20,24H,2,5-6,8,10-14,16-17H2,1H3/t20-/m1/s1.
What are the key properties of ethyl 1-(1H-indol-2-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate?
ethyl 1-(1H-indol-2-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate has a molecular weight of 384.52 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1H-indol-2-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 25299071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).