5-chloro-N-[1-(2-chlorophenyl)-2-(piperidin-4-ylmethoxy)ethyl]-1H-indole-2-carboxamide

C23H25Cl2N3O2 — CID 69309648

IUPAC5-chloro-N-[1-(2-chlorophenyl)-2-(piperidin-4-ylmethoxy)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NC(COCC1CCNCC1)c1ccccc1Cl)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C23H25Cl2N3O2/c24-17-5-6-20-16(11-17)12-21(27-20)23(29)28-22(18-3-1-2-4-19(18)25)14-30-13-15-7-9-26-10-8-15/h1-6,11-12,15,22,26-27H,7-10,13-14H2,(H,28,29)
InChIKeyHTNDCLVXGMSQAC-UHFFFAOYSA-N
MW446.38 g/mol
LogP4.96
Rot. Bonds7

About 5-chloro-N-[1-(2-chlorophenyl)-2-(piperidin-4-ylmethoxy)ethyl]-1H-indole-2-carboxamide

5-chloro-N-[1-(2-chlorophenyl)-2-(piperidin-4-ylmethoxy)ethyl]-1H-indole-2-carboxamide (PubChem CID 69309648) has the molecular formula C23H25Cl2N3O2 and a molecular weight of 446.38 g/mol. Its IUPAC name is 5-chloro-N-[1-(2-chlorophenyl)-2-(piperidin-4-ylmethoxy)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2-chlorophenyl)-2-(piperidin-4-ylmethoxy)ethyl]-1H-indole-2-carboxamide
PubChem CID69309648
Molecular FormulaC23H25Cl2N3O2
Molecular Weight446.38 g/mol
Exact Mass445.13
IUPAC Name5-chloro-N-[1-(2-chlorophenyl)-2-(piperidin-4-ylmethoxy)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NC(COCC1CCNCC1)c1ccccc1Cl)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C23H25Cl2N3O2/c24-17-5-6-20-16(11-17)12-21(27-20)23(29)28-22(18-3-1-2-4-19(18)25)14-30-13-15-7-9-26-10-8-15/h1-6,11-12,15,22,26-27H,7-10,13-14H2,(H,28,29)
InChIKeyHTNDCLVXGMSQAC-UHFFFAOYSA-N
XLogP4.96
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.38
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2-chlorophenyl)-2-(piperidin-4-ylmethoxy)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(2-chlorophenyl)-2-(piperidin-4-ylmethoxy)ethyl]-1H-indole-2-carboxamide (CID 69309648) is 5-chloro-N-[1-(2-chlorophenyl)-2-(piperidin-4-ylmethoxy)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(2-chlorophenyl)-2-(piperidin-4-ylmethoxy)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(2-chlorophenyl)-2-(piperidin-4-ylmethoxy)ethyl]-1H-indole-2-carboxamide is O=C(NC(COCC1CCNCC1)c1ccccc1Cl)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[1-(2-chlorophenyl)-2-(piperidin-4-ylmethoxy)ethyl]-1H-indole-2-carboxamide?
The InChIKey is HTNDCLVXGMSQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O2/c24-17-5-6-20-16(11-17)12-21(27-20)23(29)28-22(18-3-1-2-4-19(18)25)14-30-13-15-7-9-26-10-8-15/h1-6,11-12,15,22,26-27H,7-10,13-14H2,(H,28,29).
What are the key properties of 5-chloro-N-[1-(2-chlorophenyl)-2-(piperidin-4-ylmethoxy)ethyl]-1H-indole-2-carboxamide?
5-chloro-N-[1-(2-chlorophenyl)-2-(piperidin-4-ylmethoxy)ethyl]-1H-indole-2-carboxamide has a molecular weight of 446.38 g/mol, XLogP of 4.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2-chlorophenyl)-2-(piperidin-4-ylmethoxy)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 69309648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).