5-chloro-N-[(2S)-1-(4-hydroxy-2-iminopiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide

C23H23ClN4O3 — CID 159864794

IUPAC5-chloro-N-[(2S)-1-(4-hydroxy-2-iminopiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
SMILES[H]/N=C1\CC(O)CCN1C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C23H23ClN4O3/c24-16-6-7-18-15(11-16)12-19(26-18)22(30)27-20(10-14-4-2-1-3-5-14)23(31)28-9-8-17(29)13-21(28)25/h1-7,11-12,17,20,25-26,29H,8-10,13H2,(H,27,30)/b25-21+/t17?,20-/m0/s1
InChIKeyNRPFRIDCGMFKGF-PJGUJRGOSA-N
MW438.92 g/mol
LogP3.12
Rot. Bonds5

About 5-chloro-N-[(2S)-1-(4-hydroxy-2-iminopiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide

5-chloro-N-[(2S)-1-(4-hydroxy-2-iminopiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 159864794) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-1-(4-hydroxy-2-iminopiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-1-(4-hydroxy-2-iminopiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
PubChem CID159864794
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name5-chloro-N-[(2S)-1-(4-hydroxy-2-iminopiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
SMILES[H]/N=C1\CC(O)CCN1C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C23H23ClN4O3/c24-16-6-7-18-15(11-16)12-19(26-18)22(30)27-20(10-14-4-2-1-3-5-14)23(31)28-9-8-17(29)13-21(28)25/h1-7,11-12,17,20,25-26,29H,8-10,13H2,(H,27,30)/b25-21+/t17?,20-/m0/s1
InChIKeyNRPFRIDCGMFKGF-PJGUJRGOSA-N
XLogP3.12
TPSA109.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-chloro-N-[(2S)-1-(4-hydroxy-2-iminopiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium 1-[(2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoyl]azetidine-3-carboxylate
CID 70097424
5-chloro-N-[(2S)-1-oxo-1-(3-oxopiperazin-1-yl)-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
CID 20679219
5-chloro-N-[(3R)-4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 56993696
5-chloro-N-[1-oxo-3-phenyl-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]-1H-indole-2-carboxamide
CID 54053006
(2S,3R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoic acid
CID 10809326
methyl (2S)-2-amino-3-phenylpropanoate;methyl (2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate;hydrochloride
CID 67759859
5-chloro-N-[(2S)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide
CID 71540036
5-chloro-N-[(2S,3R)-4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide;ethanol;molecular hydrogen
CID 161433311
N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
CID 2814764
5-chloro-N-[(2S,3R)-4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-[methoxy(methyl)amino]-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 158609195
methyl (2R,3S)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate
CID 10524239
(4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid;hydrochloride
CID 21060548

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-1-(4-hydroxy-2-iminopiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2S)-1-(4-hydroxy-2-iminopiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide (CID 159864794) is 5-chloro-N-[(2S)-1-(4-hydroxy-2-iminopiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2S)-1-(4-hydroxy-2-iminopiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2S)-1-(4-hydroxy-2-iminopiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide is [H]/N=C1\CC(O)CCN1C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[(2S)-1-(4-hydroxy-2-iminopiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is NRPFRIDCGMFKGF-PJGUJRGOSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c24-16-6-7-18-15(11-16)12-19(26-18)22(30)27-20(10-14-4-2-1-3-5-14)23(31)28-9-8-17(29)13-21(28)25/h1-7,11-12,17,20,25-26,29H,8-10,13H2,(H,27,30)/b25-21+/t17?,20-/m0/s1.
What are the key properties of 5-chloro-N-[(2S)-1-(4-hydroxy-2-iminopiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?
5-chloro-N-[(2S)-1-(4-hydroxy-2-iminopiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 3.12, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-1-(4-hydroxy-2-iminopiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 159864794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).