6-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide

C22H25N3O2 — CID 164622397

IUPAC6-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc(-c2ccc3cc(C(=O)NCC4CCNCC4)[nH]c3c2)cc1
InChIInChI=1S/C22H25N3O2/c1-27-19-6-4-16(5-7-19)17-2-3-18-13-21(25-20(18)12-17)22(26)24-14-15-8-10-23-11-9-15/h2-7,12-13,15,23,25H,8-11,14H2,1H3,(H,24,26)
InChIKeyWEGCCPFCAZRGPM-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.57
Rot. Bonds5

About 6-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide

6-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 164622397) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide
PubChem CID164622397
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name6-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc(-c2ccc3cc(C(=O)NCC4CCNCC4)[nH]c3c2)cc1
InChIInChI=1S/C22H25N3O2/c1-27-19-6-4-16(5-7-19)17-2-3-18-13-21(25-20(18)12-17)22(26)24-14-15-8-10-23-11-9-15/h2-7,12-13,15,23,25H,8-11,14H2,1H3,(H,24,26)
InChIKeyWEGCCPFCAZRGPM-UHFFFAOYSA-N
XLogP3.57
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide (CID 164622397) is 6-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide is COc1ccc(-c2ccc3cc(C(=O)NCC4CCNCC4)[nH]c3c2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is WEGCCPFCAZRGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-27-19-6-4-16(5-7-19)17-2-3-18-13-21(25-20(18)12-17)22(26)24-14-15-8-10-23-11-9-15/h2-7,12-13,15,23,25H,8-11,14H2,1H3,(H,24,26).
What are the key properties of 6-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide?
6-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 164622397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).