(4-amino-4-oxo-1-piperidin-4-ylbutyl) 1-methylindole-3-carboxylate

C19H25N3O3 — CID 70141162

IUPAC(4-amino-4-oxo-1-piperidin-4-ylbutyl) 1-methylindole-3-carboxylate
SMILESCn1cc(C(=O)OC(CCC(N)=O)C2CCNCC2)c2ccccc21
InChIInChI=1S/C19H25N3O3/c1-22-12-15(14-4-2-3-5-16(14)22)19(24)25-17(6-7-18(20)23)13-8-10-21-11-9-13/h2-5,12-13,17,21H,6-11H2,1H3,(H2,20,23)
InChIKeyCIWIIFUAADYUMJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.97
Rot. Bonds6

About (4-amino-4-oxo-1-piperidin-4-ylbutyl) 1-methylindole-3-carboxylate

(4-amino-4-oxo-1-piperidin-4-ylbutyl) 1-methylindole-3-carboxylate (PubChem CID 70141162) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (4-amino-4-oxo-1-piperidin-4-ylbutyl) 1-methylindole-3-carboxylate.

Molecular Properties

Compound Name(4-amino-4-oxo-1-piperidin-4-ylbutyl) 1-methylindole-3-carboxylate
PubChem CID70141162
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(4-amino-4-oxo-1-piperidin-4-ylbutyl) 1-methylindole-3-carboxylate
SMILESCn1cc(C(=O)OC(CCC(N)=O)C2CCNCC2)c2ccccc21
InChIInChI=1S/C19H25N3O3/c1-22-12-15(14-4-2-3-5-16(14)22)19(24)25-17(6-7-18(20)23)13-8-10-21-11-9-13/h2-5,12-13,17,21H,6-11H2,1H3,(H2,20,23)
InChIKeyCIWIIFUAADYUMJ-UHFFFAOYSA-N
XLogP1.97
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-amino-4-oxo-1-piperidin-4-ylbutyl) 1-methylindole-3-carboxylate 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

[(2S)-1-amino-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
CID 40518343
[(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate
CID 41471077
(4-hydroxycyclohexyl)methyl 1-methylindole-3-carboxylate
CID 140552406
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate
CID 46827409
[2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 27571304
chloro 1-methylindole-3-carboxylate
CID 69132264
2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate
CID 118218591
3-methoxy-1-(1-methylindol-3-yl)propan-1-one
CID 174243239
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
hexyl 1-methylindole-3-carboxylate
CID 135057842
3-cyclopropyl-2-(1-methylindol-3-yl)propanamide
CID 67395297
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
CID 166081487

Frequently Asked Questions

What is the IUPAC name of (4-amino-4-oxo-1-piperidin-4-ylbutyl) 1-methylindole-3-carboxylate?
The IUPAC name of (4-amino-4-oxo-1-piperidin-4-ylbutyl) 1-methylindole-3-carboxylate (CID 70141162) is (4-amino-4-oxo-1-piperidin-4-ylbutyl) 1-methylindole-3-carboxylate.
What is the SMILES notation for (4-amino-4-oxo-1-piperidin-4-ylbutyl) 1-methylindole-3-carboxylate?
The canonical SMILES for (4-amino-4-oxo-1-piperidin-4-ylbutyl) 1-methylindole-3-carboxylate is Cn1cc(C(=O)OC(CCC(N)=O)C2CCNCC2)c2ccccc21.
What is the InChIKey of (4-amino-4-oxo-1-piperidin-4-ylbutyl) 1-methylindole-3-carboxylate?
The InChIKey is CIWIIFUAADYUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-22-12-15(14-4-2-3-5-16(14)22)19(24)25-17(6-7-18(20)23)13-8-10-21-11-9-13/h2-5,12-13,17,21H,6-11H2,1H3,(H2,20,23).
What are the key properties of (4-amino-4-oxo-1-piperidin-4-ylbutyl) 1-methylindole-3-carboxylate?
(4-amino-4-oxo-1-piperidin-4-ylbutyl) 1-methylindole-3-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-4-oxo-1-piperidin-4-ylbutyl) 1-methylindole-3-carboxylate is sourced from PubChem (CID 70141162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).