(3S)-N-[2-(1H-indol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboxamide

C19H26N4O2 — CID 124577288

IUPAC(3S)-N-[2-(1H-indol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(NCCc1cc2ccccc2[nH]1)N1CC[C@H](N2CCOCC2)C1
InChIInChI=1S/C19H26N4O2/c24-19(23-8-6-17(14-23)22-9-11-25-12-10-22)20-7-5-16-13-15-3-1-2-4-18(15)21-16/h1-4,13,17,21H,5-12,14H2,(H,20,24)/t17-/m0/s1
InChIKeyBIUKHAJOMOWHCY-KRWDZBQOSA-N
MW342.44 g/mol
LogP1.83
Rot. Bonds4

About (3S)-N-[2-(1H-indol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboxamide

(3S)-N-[2-(1H-indol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboxamide (PubChem CID 124577288) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3S)-N-[2-(1H-indol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(1H-indol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboxamide
PubChem CID124577288
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(3S)-N-[2-(1H-indol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(NCCc1cc2ccccc2[nH]1)N1CC[C@H](N2CCOCC2)C1
InChIInChI=1S/C19H26N4O2/c24-19(23-8-6-17(14-23)22-9-11-25-12-10-22)20-7-5-16-13-15-3-1-2-4-18(15)21-16/h1-4,13,17,21H,5-12,14H2,(H,20,24)/t17-/m0/s1
InChIKeyBIUKHAJOMOWHCY-KRWDZBQOSA-N
XLogP1.83
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 99789227
N-[2-(1H-indol-2-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 127617774
1-benzoyl-N-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide
CID 21030345
(3R)-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 126425758
N-[2-(1H-indol-2-yl)ethyl]acetamide
CID 10465460
N'-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726280
(2S)-2-hydroxy-4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107839880
N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111725817
N-(1H-indol-2-ylmethyl)-2-(methoxymethyl)morpholine-4-carboxamide
CID 71868444
2-[[[2-(1H-indol-2-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110036343
(3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-yl)ethyl]piperidine-3-carboxamide
CID 129346561
N-morpholin-4-yl-1H-indole-2-carboxamide
CID 78908081

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(1H-indol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[2-(1H-indol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboxamide (CID 124577288) is (3S)-N-[2-(1H-indol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[2-(1H-indol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[2-(1H-indol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboxamide is O=C(NCCc1cc2ccccc2[nH]1)N1CC[C@H](N2CCOCC2)C1.
What is the InChIKey of (3S)-N-[2-(1H-indol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is BIUKHAJOMOWHCY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-19(23-8-6-17(14-23)22-9-11-25-12-10-22)20-7-5-16-13-15-3-1-2-4-18(15)21-16/h1-4,13,17,21H,5-12,14H2,(H,20,24)/t17-/m0/s1.
What are the key properties of (3S)-N-[2-(1H-indol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboxamide?
(3S)-N-[2-(1H-indol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(1H-indol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 124577288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).