(3R,5R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide

C21H30N4O3 — CID 72848218

IUPAC(3R,5R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCCN1CCc2ccccc21)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C21H30N4O3/c26-20(23-6-8-24-7-5-16-3-1-2-4-19(16)24)17-13-18(15-22-14-17)21(27)25-9-11-28-12-10-25/h1-4,17-18,22H,5-15H2,(H,23,26)/t17-,18-/m1/s1
InChIKeyRVAPWABRSXVTDZ-QZTJIDSGSA-N
MW386.50 g/mol
LogP0.25
Rot. Bonds5

About (3R,5R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide

(3R,5R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 72848218) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is (3R,5R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
PubChem CID72848218
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name(3R,5R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCCN1CCc2ccccc21)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C21H30N4O3/c26-20(23-6-8-24-7-5-16-3-1-2-4-19(16)24)17-13-18(15-22-14-17)21(27)25-9-11-28-12-10-25/h1-4,17-18,22H,5-15H2,(H,23,26)/t17-,18-/m1/s1
InChIKeyRVAPWABRSXVTDZ-QZTJIDSGSA-N
XLogP0.25
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)ethyl]piperidine-4-carboxamide
CID 155615979
cis-(1S,3R)-3-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 133134060
(3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 81133525
(3S,5R)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 133115531
N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 156605985
(3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide
CID 51504785
(3R,5S)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 72874306
(3S,5R)-N-[3-(furan-2-ylmethylsulfanyl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 133109656
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46963818
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110620154
morpholin-4-yl-(5-phenylpiperidin-3-yl)methanone
CID 166794041
(3S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 97191213

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide (CID 72848218) is (3R,5R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide is O=C(NCCN1CCc2ccccc21)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1.
What is the InChIKey of (3R,5R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is RVAPWABRSXVTDZ-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H30N4O3/c26-20(23-6-8-24-7-5-16-3-1-2-4-19(16)24)17-13-18(15-22-14-17)21(27)25-9-11-28-12-10-25/h1-4,17-18,22H,5-15H2,(H,23,26)/t17-,18-/m1/s1.
What are the key properties of (3R,5R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
(3R,5R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 72848218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).