5-phenyl-3-piperidin-3-yl-1H-indole-7-carboxamide

C20H21N3O — CID 11186250

IUPAC5-phenyl-3-piperidin-3-yl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c(C3CCCNC3)c[nH]c12
InChIInChI=1S/C20H21N3O/c21-20(24)17-10-15(13-5-2-1-3-6-13)9-16-18(12-23-19(16)17)14-7-4-8-22-11-14/h1-3,5-6,9-10,12,14,22-23H,4,7-8,11H2,(H2,21,24)
InChIKeyWEDULMQJBAQTCR-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.40
Rot. Bonds3

About 5-phenyl-3-piperidin-3-yl-1H-indole-7-carboxamide

5-phenyl-3-piperidin-3-yl-1H-indole-7-carboxamide (PubChem CID 11186250) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-phenyl-3-piperidin-3-yl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-phenyl-3-piperidin-3-yl-1H-indole-7-carboxamide
PubChem CID11186250
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name5-phenyl-3-piperidin-3-yl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c(C3CCCNC3)c[nH]c12
InChIInChI=1S/C20H21N3O/c21-20(24)17-10-15(13-5-2-1-3-6-13)9-16-18(12-23-19(16)17)14-7-4-8-22-11-14/h1-3,5-6,9-10,12,14,22-23H,4,7-8,11H2,(H2,21,24)
InChIKeyWEDULMQJBAQTCR-UHFFFAOYSA-N
XLogP3.40
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-piperidin-3-yl-1H-indole-7-carboxamide?
The IUPAC name of 5-phenyl-3-piperidin-3-yl-1H-indole-7-carboxamide (CID 11186250) is 5-phenyl-3-piperidin-3-yl-1H-indole-7-carboxamide.
What is the SMILES notation for 5-phenyl-3-piperidin-3-yl-1H-indole-7-carboxamide?
The canonical SMILES for 5-phenyl-3-piperidin-3-yl-1H-indole-7-carboxamide is NC(=O)c1cc(-c2ccccc2)cc2c(C3CCCNC3)c[nH]c12.
What is the InChIKey of 5-phenyl-3-piperidin-3-yl-1H-indole-7-carboxamide?
The InChIKey is WEDULMQJBAQTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c21-20(24)17-10-15(13-5-2-1-3-6-13)9-16-18(12-23-19(16)17)14-7-4-8-22-11-14/h1-3,5-6,9-10,12,14,22-23H,4,7-8,11H2,(H2,21,24).
What are the key properties of 5-phenyl-3-piperidin-3-yl-1H-indole-7-carboxamide?
5-phenyl-3-piperidin-3-yl-1H-indole-7-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-piperidin-3-yl-1H-indole-7-carboxamide is sourced from PubChem (CID 11186250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).