phenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate

C23H25N3O3 — CID 110286456

IUPACphenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCCC1)Oc1ccccc1
InChIInChI=1S/C23H25N3O3/c27-22(26-13-7-2-8-14-26)21(25-23(28)29-18-9-3-1-4-10-18)15-17-16-24-20-12-6-5-11-19(17)20/h1,3-6,9-12,16,21,24H,2,7-8,13-15H2,(H,25,28)/t21-/m0/s1
InChIKeyLTKUTZYGDXKLBA-NRFANRHFSA-N
MW391.47 g/mol
LogP3.88
Rot. Bonds5

About phenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate

phenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate (PubChem CID 110286456) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is phenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate
PubChem CID110286456
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Namephenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCCC1)Oc1ccccc1
InChIInChI=1S/C23H25N3O3/c27-22(26-13-7-2-8-14-26)21(25-23(28)29-18-9-3-1-4-10-18)15-17-16-24-20-12-6-5-11-19(17)20/h1,3-6,9-12,16,21,24H,2,7-8,13-15H2,(H,25,28)/t21-/m0/s1
InChIKeyLTKUTZYGDXKLBA-NRFANRHFSA-N
XLogP3.88
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647817
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
CID 42698643
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-phenylsulfanylacetamide
CID 42698658
phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 3136694
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide
CID 110286392
2-(1H-indol-3-yl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 47090271
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide
CID 110286403
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylbenzamide
CID 110286442
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2-methoxybenzamide
CID 110286402
(2S)-2-amino-1-(azocan-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 119955806
(2S)-2-amino-3-(1H-indol-3-yl)-1-piperidin-1-ylpropan-1-one
CID 770507
N-[3-(1H-indol-3-yl)-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647922

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate?
The IUPAC name of phenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate (CID 110286456) is phenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate?
The canonical SMILES for phenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate is O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCCC1)Oc1ccccc1.
What is the InChIKey of phenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate?
The InChIKey is LTKUTZYGDXKLBA-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-22(26-13-7-2-8-14-26)21(25-23(28)29-18-9-3-1-4-10-18)15-17-16-24-20-12-6-5-11-19(17)20/h1,3-6,9-12,16,21,24H,2,7-8,13-15H2,(H,25,28)/t21-/m0/s1.
What are the key properties of phenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate?
phenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate has a molecular weight of 391.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate is sourced from PubChem (CID 110286456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).