3-(4-benzylpiperidin-1-yl)-2-ethyl-1H-indole-5-carboxamide

C23H27N3O — CID 69421337

IUPAC3-(4-benzylpiperidin-1-yl)-2-ethyl-1H-indole-5-carboxamide
SMILESCCc1[nH]c2ccc(C(N)=O)cc2c1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H27N3O/c1-2-20-22(19-15-18(23(24)27)8-9-21(19)25-20)26-12-10-17(11-13-26)14-16-6-4-3-5-7-16/h3-9,15,17,25H,2,10-14H2,1H3,(H2,24,27)
InChIKeySRZOBQCBDOPDRQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.29
Rot. Bonds5

About 3-(4-benzylpiperidin-1-yl)-2-ethyl-1H-indole-5-carboxamide

3-(4-benzylpiperidin-1-yl)-2-ethyl-1H-indole-5-carboxamide (PubChem CID 69421337) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-2-ethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-2-ethyl-1H-indole-5-carboxamide
PubChem CID69421337
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name3-(4-benzylpiperidin-1-yl)-2-ethyl-1H-indole-5-carboxamide
SMILESCCc1[nH]c2ccc(C(N)=O)cc2c1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H27N3O/c1-2-20-22(19-15-18(23(24)27)8-9-21(19)25-20)26-12-10-17(11-13-26)14-16-6-4-3-5-7-16/h3-9,15,17,25H,2,10-14H2,1H3,(H2,24,27)
InChIKeySRZOBQCBDOPDRQ-UHFFFAOYSA-N
XLogP4.29
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide
CID 91071189
3-benzoyl-5-(4-benzylpiperidin-1-yl)-1H-indole-2-carboxamide
CID 54236373
2-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-1H-indole-5-carboxamide
CID 54107510
4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide
CID 11280085
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
2-[1-(2-ethyl-5-methoxy-1H-indol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone
CID 56981670
1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 39402702
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
1-[2-(4-benzylpiperidin-1-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 147321423
2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 83971754
1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione
CID 138530082
2-(4-benzylpiperidin-1-yl)-N-pyridin-4-yl-1H-indole-5-carboxamide
CID 151942382

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-2-ethyl-1H-indole-5-carboxamide?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-2-ethyl-1H-indole-5-carboxamide (CID 69421337) is 3-(4-benzylpiperidin-1-yl)-2-ethyl-1H-indole-5-carboxamide.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-2-ethyl-1H-indole-5-carboxamide?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-2-ethyl-1H-indole-5-carboxamide is CCc1[nH]c2ccc(C(N)=O)cc2c1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-2-ethyl-1H-indole-5-carboxamide?
The InChIKey is SRZOBQCBDOPDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-2-20-22(19-15-18(23(24)27)8-9-21(19)25-20)26-12-10-17(11-13-26)14-16-6-4-3-5-7-16/h3-9,15,17,25H,2,10-14H2,1H3,(H2,24,27).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-2-ethyl-1H-indole-5-carboxamide?
3-(4-benzylpiperidin-1-yl)-2-ethyl-1H-indole-5-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-2-ethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 69421337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).