2-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-1H-indole-5-carboxamide

C21H22ClN3O — CID 54107510

IUPAC2-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]c(N3CCC(Cc4cccc(Cl)c4)CC3)cc2c1
InChIInChI=1S/C21H22ClN3O/c22-18-3-1-2-15(11-18)10-14-6-8-25(9-7-14)20-13-17-12-16(21(23)26)4-5-19(17)24-20/h1-5,11-14,24H,6-10H2,(H2,23,26)
InChIKeyNEUGBCQYQNLQNO-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.38
Rot. Bonds4

About 2-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-1H-indole-5-carboxamide

2-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-1H-indole-5-carboxamide (PubChem CID 54107510) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-1H-indole-5-carboxamide
PubChem CID54107510
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name2-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]c(N3CCC(Cc4cccc(Cl)c4)CC3)cc2c1
InChIInChI=1S/C21H22ClN3O/c22-18-3-1-2-15(11-18)10-14-6-8-25(9-7-14)20-13-17-12-16(21(23)26)4-5-19(17)24-20/h1-5,11-14,24H,6-10H2,(H2,23,26)
InChIKeyNEUGBCQYQNLQNO-UHFFFAOYSA-N
XLogP4.38
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-1H-indole-5-carboxamide?
The IUPAC name of 2-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-1H-indole-5-carboxamide (CID 54107510) is 2-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-1H-indole-5-carboxamide?
The canonical SMILES for 2-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-1H-indole-5-carboxamide is NC(=O)c1ccc2[nH]c(N3CCC(Cc4cccc(Cl)c4)CC3)cc2c1.
What is the InChIKey of 2-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-1H-indole-5-carboxamide?
The InChIKey is NEUGBCQYQNLQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c22-18-3-1-2-15(11-18)10-14-6-8-25(9-7-14)20-13-17-12-16(21(23)26)4-5-19(17)24-20/h1-5,11-14,24H,6-10H2,(H2,23,26).
What are the key properties of 2-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-1H-indole-5-carboxamide?
2-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-1H-indole-5-carboxamide has a molecular weight of 367.88 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-1H-indole-5-carboxamide is sourced from PubChem (CID 54107510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).