N-[(2-chlorophenyl)methyl]-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide

C25H26ClN5O2 — CID 50827713

IUPACN-[(2-chlorophenyl)methyl]-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2nnc(CN3CCCCC3)o2)c2ccccc21)NCc1ccccc1Cl
InChIInChI=1S/C25H26ClN5O2/c26-21-10-4-2-8-18(21)14-27-23(32)16-31-15-20(19-9-3-5-11-22(19)31)25-29-28-24(33-25)17-30-12-6-1-7-13-30/h2-5,8-11,15H,1,6-7,12-14,16-17H2,(H,27,32)
InChIKeyNTBYYHFQADBGSU-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.65
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide (PubChem CID 50827713) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
PubChem CID50827713
Molecular FormulaC25H26ClN5O2
Molecular Weight463.97 g/mol
Exact Mass463.18
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2nnc(CN3CCCCC3)o2)c2ccccc21)NCc1ccccc1Cl
InChIInChI=1S/C25H26ClN5O2/c26-21-10-4-2-8-18(21)14-27-23(32)16-31-15-20(19-9-3-5-11-22(19)31)25-29-28-24(33-25)17-30-12-6-1-7-13-30/h2-5,8-11,15H,1,6-7,12-14,16-17H2,(H,27,32)
InChIKeyNTBYYHFQADBGSU-UHFFFAOYSA-N
XLogP4.65
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide (CID 50827713) is N-[(2-chlorophenyl)methyl]-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide is O=C(Cn1cc(-c2nnc(CN3CCCCC3)o2)c2ccccc21)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?
The InChIKey is NTBYYHFQADBGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2/c26-21-10-4-2-8-18(21)14-27-23(32)16-31-15-20(19-9-3-5-11-22(19)31)25-29-28-24(33-25)17-30-12-6-1-7-13-30/h2-5,8-11,15H,1,6-7,12-14,16-17H2,(H,27,32).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide has a molecular weight of 463.97 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide is sourced from PubChem (CID 50827713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).