2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide

C20H20ClN3O — CID 131882607

IUPAC2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide
SMILESO=C(NN1CCCCC1)c1c(Cl)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H20ClN3O/c21-19-18(20(25)22-23-13-7-2-8-14-23)16-11-5-6-12-17(16)24(19)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2,(H,22,25)
InChIKeyMDVHEKZUFFEMIY-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.41
Rot. Bonds3

About 2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide

2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide (PubChem CID 131882607) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide.

Molecular Properties

Compound Name2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide
PubChem CID131882607
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide
SMILESO=C(NN1CCCCC1)c1c(Cl)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H20ClN3O/c21-19-18(20(25)22-23-13-7-2-8-14-23)16-11-5-6-12-17(16)24(19)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2,(H,22,25)
InChIKeyMDVHEKZUFFEMIY-UHFFFAOYSA-N
XLogP4.41
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide?
The IUPAC name of 2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide (CID 131882607) is 2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide.
What is the SMILES notation for 2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide?
The canonical SMILES for 2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide is O=C(NN1CCCCC1)c1c(Cl)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of 2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide?
The InChIKey is MDVHEKZUFFEMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c21-19-18(20(25)22-23-13-7-2-8-14-23)16-11-5-6-12-17(16)24(19)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2,(H,22,25).
What are the key properties of 2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide?
2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide is sourced from PubChem (CID 131882607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).