4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]morpholine-3-carboxamide

C14H17N3O3 — CID 83101383

IUPAC4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H17N3O3/c15-13(18)12-8-20-6-5-17(12)14(19)11-7-9-3-1-2-4-10(9)16-11/h1-4,11-12,16H,5-8H2,(H2,15,18)/t11-,12?/m0/s1
InChIKeyPYQXHTLWTJTNJI-PXYINDEMSA-N
MW275.31 g/mol
LogP-0.26
Rot. Bonds2

About 4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]morpholine-3-carboxamide

4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]morpholine-3-carboxamide (PubChem CID 83101383) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]morpholine-3-carboxamide
PubChem CID83101383
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H17N3O3/c15-13(18)12-8-20-6-5-17(12)14(19)11-7-9-3-1-2-4-10(9)16-11/h1-4,11-12,16H,5-8H2,(H2,15,18)/t11-,12?/m0/s1
InChIKeyPYQXHTLWTJTNJI-PXYINDEMSA-N
XLogP-0.26
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)morpholine-3-carboxamide
CID 83097534
[(2S)-2,3-dihydro-1H-indol-2-yl]-(3-ethylmorpholin-4-yl)methanone
CID 61155795
1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid
CID 61158469
[(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone
CID 55153900
4-(piperidine-2-carbonyl)morpholine-3-carboxamide
CID 83101241
methyl 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidine-2-carboxylate
CID 61163706
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide
CID 104896094
1-(2,3-dihydro-1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 76892627
1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide
CID 61147948
[(3R)-3-methylmorpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 106774300
(3-methylmorpholin-4-yl)-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 61154202

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]morpholine-3-carboxamide?
The IUPAC name of 4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]morpholine-3-carboxamide (CID 83101383) is 4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]morpholine-3-carboxamide is NC(=O)C1COCCN1C(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of 4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]morpholine-3-carboxamide?
The InChIKey is PYQXHTLWTJTNJI-PXYINDEMSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-13(18)12-8-20-6-5-17(12)14(19)11-7-9-3-1-2-4-10(9)16-11/h1-4,11-12,16H,5-8H2,(H2,15,18)/t11-,12?/m0/s1.
What are the key properties of 4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]morpholine-3-carboxamide?
4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]morpholine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]morpholine-3-carboxamide is sourced from PubChem (CID 83101383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).