N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide

C19H26N4O3 — CID 121499951

IUPACN-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide
SMILESCN(C)C(=O)CN1CC[C@@H](NC(=O)Cc2c[nH]c3ccccc23)[C@H](O)C1
InChIInChI=1S/C19H26N4O3/c1-22(2)19(26)12-23-8-7-16(17(24)11-23)21-18(25)9-13-10-20-15-6-4-3-5-14(13)15/h3-6,10,16-17,20,24H,7-9,11-12H2,1-2H3,(H,21,25)/t16-,17-/m1/s1
InChIKeyHLGFMCSQOVXVGC-IAGOWNOFSA-N
MW358.44 g/mol
LogP0.35
Rot. Bonds5

About N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide

N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide (PubChem CID 121499951) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide
PubChem CID121499951
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide
SMILESCN(C)C(=O)CN1CC[C@@H](NC(=O)Cc2c[nH]c3ccccc23)[C@H](O)C1
InChIInChI=1S/C19H26N4O3/c1-22(2)19(26)12-23-8-7-16(17(24)11-23)21-18(25)9-13-10-20-15-6-4-3-5-14(13)15/h3-6,10,16-17,20,24H,7-9,11-12H2,1-2H3,(H,21,25)/t16-,17-/m1/s1
InChIKeyHLGFMCSQOVXVGC-IAGOWNOFSA-N
XLogP0.35
TPSA88.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 118764876
2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 78793992
(3R,4R)-4-[[2-(1H-indol-3-yl)acetyl]amino]-N,1-dimethylpyrrolidine-3-carboxamide
CID 155983577
2-[(3R,4R)-3-hydroxy-4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 118779443
N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide
CID 110819918
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 24707532
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 118794013
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 51924548
N-(3,4-dimethylcyclohexyl)-2-(1H-indol-3-yl)acetamide
CID 64742201
2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide
CID 62330627
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(1H-indol-3-yl)acetamide
CID 43594469

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide (CID 121499951) is N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide is CN(C)C(=O)CN1CC[C@@H](NC(=O)Cc2c[nH]c3ccccc23)[C@H](O)C1.
What is the InChIKey of N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is HLGFMCSQOVXVGC-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-22(2)19(26)12-23-8-7-16(17(24)11-23)21-18(25)9-13-10-20-15-6-4-3-5-14(13)15/h3-6,10,16-17,20,24H,7-9,11-12H2,1-2H3,(H,21,25)/t16-,17-/m1/s1.
What are the key properties of N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide?
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 121499951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).