2-[(3R,4S)-3-ethyl-1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylethanone

C22H31N3O2 — CID 40534541

IUPAC2-[(3R,4S)-3-ethyl-1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCC[C@H]1CN(Cc2c[nH]c3ccccc23)CC[C@H]1CC(=O)N1CCOCC1
InChIInChI=1S/C22H31N3O2/c1-2-17-15-24(16-19-14-23-21-6-4-3-5-20(19)21)8-7-18(17)13-22(26)25-9-11-27-12-10-25/h3-6,14,17-18,23H,2,7-13,15-16H2,1H3/t17-,18-/m0/s1
InChIKeyVHMGUUSEWSZAQC-ROUUACIJSA-N
MW369.51 g/mol
LogP3.26
Rot. Bonds5

About 2-[(3R,4S)-3-ethyl-1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylethanone

2-[(3R,4S)-3-ethyl-1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylethanone (PubChem CID 40534541) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[(3R,4S)-3-ethyl-1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3R,4S)-3-ethyl-1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylethanone
PubChem CID40534541
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name2-[(3R,4S)-3-ethyl-1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCC[C@H]1CN(Cc2c[nH]c3ccccc23)CC[C@H]1CC(=O)N1CCOCC1
InChIInChI=1S/C22H31N3O2/c1-2-17-15-24(16-19-14-23-21-6-4-3-5-20(19)21)8-7-18(17)13-22(26)25-9-11-27-12-10-25/h3-6,14,17-18,23H,2,7-13,15-16H2,1H3/t17-,18-/m0/s1
InChIKeyVHMGUUSEWSZAQC-ROUUACIJSA-N
XLogP3.26
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3R,4S)-3-ethyl-1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-(1H-indol-3-yl)-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanone
CID 56789126
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 162966907
1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 110397461
azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone
CID 898620
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 56866050
1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 110108314
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110611350
N,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 51263125
1-(1H-indol-3-ylmethyl)-N,N-di(propan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 3030428
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
CID 119956298

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-ethyl-1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3R,4S)-3-ethyl-1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylethanone (CID 40534541) is 2-[(3R,4S)-3-ethyl-1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3R,4S)-3-ethyl-1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3R,4S)-3-ethyl-1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylethanone is CC[C@H]1CN(Cc2c[nH]c3ccccc23)CC[C@H]1CC(=O)N1CCOCC1.
What is the InChIKey of 2-[(3R,4S)-3-ethyl-1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is VHMGUUSEWSZAQC-ROUUACIJSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-2-17-15-24(16-19-14-23-21-6-4-3-5-20(19)21)8-7-18(17)13-22(26)25-9-11-27-12-10-25/h3-6,14,17-18,23H,2,7-13,15-16H2,1H3/t17-,18-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-ethyl-1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylethanone?
2-[(3R,4S)-3-ethyl-1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 369.51 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-ethyl-1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 40534541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).