methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate

C22H23N3O3 — CID 72859425

IUPACmethyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)CC1
InChIInChI=1S/C22H23N3O3/c1-28-22(27)25-11-9-15(10-12-25)21(26)23-18-7-4-6-16(13-18)20-14-17-5-2-3-8-19(17)24-20/h2-8,13-15,24H,9-12H2,1H3,(H,23,26)
InChIKeyQEAYQIXOXWNGLX-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.25
Rot. Bonds3

About methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate

methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 72859425) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
PubChem CID72859425
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Namemethyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)CC1
InChIInChI=1S/C22H23N3O3/c1-28-22(27)25-11-9-15(10-12-25)21(26)23-18-7-4-6-16(13-18)20-14-17-5-2-3-8-19(17)24-20/h2-8,13-15,24H,9-12H2,1H3,(H,23,26)
InChIKeyQEAYQIXOXWNGLX-UHFFFAOYSA-N
XLogP4.25
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide
CID 26324213
(3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 26401813
N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 45197737
(3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 25492836
(3R)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methylsulfanylacetyl)piperidine-3-carboxamide
CID 26318167
(2S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 42239955
methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754183
N-[3-(1H-indol-2-yl)phenyl]-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide
CID 45243703
(2S)-N-[3-(1H-indol-2-yl)phenyl]-1-propanoylpyrrolidine-2-carboxamide
CID 26331142
1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 45211848
N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 45220000
(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide
CID 42565952

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate (CID 72859425) is methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate is COC(=O)N1CCC(C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)CC1.
What is the InChIKey of methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is QEAYQIXOXWNGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-28-22(27)25-11-9-15(10-12-25)21(26)23-18-7-4-6-16(13-18)20-14-17-5-2-3-8-19(17)24-20/h2-8,13-15,24H,9-12H2,1H3,(H,23,26).
What are the key properties of methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate?
methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 72859425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).