(3S)-1-(2-amino-2-oxoethyl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]piperidine-3-carboxamide

C20H28N4O2 — CID 95563364

IUPAC(3S)-1-(2-amino-2-oxoethyl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCc1[nH]c2ccc(CNC(=O)[C@H]3CCCN(CC(N)=O)C3)cc2c1C
InChIInChI=1S/C20H28N4O2/c1-3-17-13(2)16-9-14(6-7-18(16)23-17)10-22-20(26)15-5-4-8-24(11-15)12-19(21)25/h6-7,9,15,23H,3-5,8,10-12H2,1-2H3,(H2,21,25)(H,22,26)/t15-/m0/s1
InChIKeySOPDPMRGCRVUKU-HNNXBMFYSA-N
MW356.47 g/mol
LogP1.85
Rot. Bonds6

About (3S)-1-(2-amino-2-oxoethyl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]piperidine-3-carboxamide

(3S)-1-(2-amino-2-oxoethyl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 95563364) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (3S)-1-(2-amino-2-oxoethyl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-amino-2-oxoethyl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID95563364
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(3S)-1-(2-amino-2-oxoethyl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCc1[nH]c2ccc(CNC(=O)[C@H]3CCCN(CC(N)=O)C3)cc2c1C
InChIInChI=1S/C20H28N4O2/c1-3-17-13(2)16-9-14(6-7-18(16)23-17)10-22-20(26)15-5-4-8-24(11-15)12-19(21)25/h6-7,9,15,23H,3-5,8,10-12H2,1-2H3,(H2,21,25)(H,22,26)/t15-/m0/s1
InChIKeySOPDPMRGCRVUKU-HNNXBMFYSA-N
XLogP1.85
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (3S)-1-(2-amino-2-oxoethyl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide
CID 95563368
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 56744582
1-[2-(dimethylamino)ethyl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 56875729
1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 46998796
1-(2-amino-2-oxoethyl)-N-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]piperidine-3-carboxamide
CID 131937690
(3S)-1-(2-amino-2-oxoethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 97110435
(3R)-1-(2-amino-2-oxoethyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 97126751
9-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987588
(3R)-1-[(4-fluorophenyl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 94022035
ethyl (3R)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 8533086
(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161419
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 26406442

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-amino-2-oxoethyl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-amino-2-oxoethyl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]piperidine-3-carboxamide (CID 95563364) is (3S)-1-(2-amino-2-oxoethyl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-amino-2-oxoethyl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-amino-2-oxoethyl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]piperidine-3-carboxamide is CCc1[nH]c2ccc(CNC(=O)[C@H]3CCCN(CC(N)=O)C3)cc2c1C.
What is the InChIKey of (3S)-1-(2-amino-2-oxoethyl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is SOPDPMRGCRVUKU-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-17-13(2)16-9-14(6-7-18(16)23-17)10-22-20(26)15-5-4-8-24(11-15)12-19(21)25/h6-7,9,15,23H,3-5,8,10-12H2,1-2H3,(H2,21,25)(H,22,26)/t15-/m0/s1.
What are the key properties of (3S)-1-(2-amino-2-oxoethyl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]piperidine-3-carboxamide?
(3S)-1-(2-amino-2-oxoethyl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-amino-2-oxoethyl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95563364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).