N-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide

C20H27N3O2 — CID 110820676

IUPACN-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H27N3O2/c1-14(2)11-19(24)22-16-7-9-23(10-8-16)20(25)12-15-13-21-18-6-4-3-5-17(15)18/h3-6,13-14,16,21H,7-12H2,1-2H3,(H,22,24)
InChIKeyFFTGPNGVBXZASU-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.86
Rot. Bonds5

About N-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide

N-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide (PubChem CID 110820676) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide
PubChem CID110820676
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H27N3O2/c1-14(2)11-19(24)22-16-7-9-23(10-8-16)20(25)12-15-13-21-18-6-4-3-5-17(15)18/h3-6,13-14,16,21H,7-12H2,1-2H3,(H,22,24)
InChIKeyFFTGPNGVBXZASU-UHFFFAOYSA-N
XLogP2.86
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-yl)-N-(1-pentanoylpiperidin-4-yl)acetamide
CID 110819576
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide
CID 110819918
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide
CID 110820768
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 51078734
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 134023907
N-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55860352
3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide
CID 91765115
1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 95726890
1-(4-aminoazepan-1-yl)-2-(1H-indol-3-yl)ethanone
CID 56912314

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide?
The IUPAC name of N-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide (CID 110820676) is N-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide is CC(C)CC(=O)NC1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide?
The InChIKey is FFTGPNGVBXZASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(2)11-19(24)22-16-7-9-23(10-8-16)20(25)12-15-13-21-18-6-4-3-5-17(15)18/h3-6,13-14,16,21H,7-12H2,1-2H3,(H,22,24).
What are the key properties of N-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide?
N-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide has a molecular weight of 341.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 110820676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).