ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate

C20H27N3O3 — CID 51165109

IUPACethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H27N3O3/c1-2-26-20(25)23-12-10-16(11-13-23)22-19(24)9-5-6-15-14-21-18-8-4-3-7-17(15)18/h3-4,7-8,14,16,21H,2,5-6,9-13H2,1H3,(H,22,24)
InChIKeyGNBFANPAOIPRBP-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.23
Rot. Bonds6

About ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate

ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate (PubChem CID 51165109) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate
PubChem CID51165109
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Nameethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H27N3O3/c1-2-26-20(25)23-12-10-16(11-13-23)22-19(24)9-5-6-15-14-21-18-8-4-3-7-17(15)18/h3-4,7-8,14,16,21H,2,5-6,9-13H2,1H3,(H,22,24)
InChIKeyGNBFANPAOIPRBP-UHFFFAOYSA-N
XLogP3.23
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide
CID 79688237
3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide
CID 91765115
ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate
CID 35512444
N-cyclohexyl-5-(1H-indol-3-yl)pentanamide
CID 140983117
2-(1H-indol-3-yl)-N-(1-pentanoylpiperidin-4-yl)acetamide
CID 110819576
4-(1H-indol-3-yl)-N-piperidin-3-ylbutanamide
CID 63321297
methyl 4-[[N-[3-(1H-indol-3-yl)propyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111984563
cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120679084
4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 17487739
4-(1H-indol-3-yl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-7-yl)butanamide
CID 91910799
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide
CID 110819918

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate (CID 51165109) is ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate?
The InChIKey is GNBFANPAOIPRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-26-20(25)23-12-10-16(11-13-23)22-19(24)9-5-6-15-14-21-18-8-4-3-7-17(15)18/h3-4,7-8,14,16,21H,2,5-6,9-13H2,1H3,(H,22,24).
What are the key properties of ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate?
ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate has a molecular weight of 357.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 51165109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).