(2S,4R)-4-hydroxy-1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide

C20H26N4O3 — CID 110197379

IUPAC(2S,4R)-4-hydroxy-1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](O)CN1C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H26N4O3/c1-21-19(26)18-11-15(25)12-24(18)14-6-8-23(9-7-14)20(27)17-10-13-4-2-3-5-16(13)22-17/h2-5,10,14-15,18,22,25H,6-9,11-12H2,1H3,(H,21,26)/t15-,18+/m1/s1
InChIKeyMFOFLMROYUDQLA-QAPCUYQASA-N
MW370.45 g/mol
LogP0.95
Rot. Bonds3

About (2S,4R)-4-hydroxy-1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide

(2S,4R)-4-hydroxy-1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 110197379) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide
PubChem CID110197379
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(2S,4R)-4-hydroxy-1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](O)CN1C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H26N4O3/c1-21-19(26)18-11-15(25)12-24(18)14-6-8-23(9-7-14)20(27)17-10-13-4-2-3-5-16(13)22-17/h2-5,10,14-15,18,22,25H,6-9,11-12H2,1H3,(H,21,26)/t15-,18+/m1/s1
InChIKeyMFOFLMROYUDQLA-QAPCUYQASA-N
XLogP0.95
TPSA88.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-4-hydroxy-1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-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

N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
(2S)-4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151803
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
[(4S,5S)-4-hydroxy-5-(4-methylpiperazin-1-yl)azepan-1-yl]-(1H-indol-2-yl)methanone
CID 110128506
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
CID 112695865
(3S,4S)-1-(1H-indole-2-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 110203515
[2-[(4-hydroxycyclohexyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone
CID 156903120

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-hydroxy-1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide (CID 110197379) is (2S,4R)-4-hydroxy-1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-hydroxy-1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](O)CN1C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of (2S,4R)-4-hydroxy-1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is MFOFLMROYUDQLA-QAPCUYQASA-N. The full InChI is InChI=1S/C20H26N4O3/c1-21-19(26)18-11-15(25)12-24(18)14-6-8-23(9-7-14)20(27)17-10-13-4-2-3-5-16(13)22-17/h2-5,10,14-15,18,22,25H,6-9,11-12H2,1H3,(H,21,26)/t15-,18+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
(2S,4R)-4-hydroxy-1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110197379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).