N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)benzamide

C32H27N5O2 — CID 44529639

IUPACN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESN#Cc1ccc(CN2CCC(NC(=O)c3ccc(-c4nnc(-c5cccc6ccccc56)o4)cc3)CC2)cc1
InChIInChI=1S/C32H27N5O2/c33-20-22-8-10-23(11-9-22)21-37-18-16-27(17-19-37)34-30(38)25-12-14-26(15-13-25)31-35-36-32(39-31)29-7-3-5-24-4-1-2-6-28(24)29/h1-15,27H,16-19,21H2,(H,34,38)
InChIKeyVPAVFUDHJJFJQB-UHFFFAOYSA-N
MW513.60 g/mol
LogP5.82
Rot. Bonds6

About N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)benzamide

N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 44529639) has the molecular formula C32H27N5O2 and a molecular weight of 513.60 g/mol. Its IUPAC name is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID44529639
Molecular FormulaC32H27N5O2
Molecular Weight513.60 g/mol
Exact Mass513.22
IUPAC NameN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESN#Cc1ccc(CN2CCC(NC(=O)c3ccc(-c4nnc(-c5cccc6ccccc56)o4)cc3)CC2)cc1
InChIInChI=1S/C32H27N5O2/c33-20-22-8-10-23(11-9-22)21-37-18-16-27(17-19-37)34-30(38)25-12-14-26(15-13-25)31-35-36-32(39-31)29-7-3-5-24-4-1-2-6-28(24)29/h1-15,27H,16-19,21H2,(H,34,38)
InChIKeyVPAVFUDHJJFJQB-UHFFFAOYSA-N
XLogP5.82
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 44529639) is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)benzamide is N#Cc1ccc(CN2CCC(NC(=O)c3ccc(-c4nnc(-c5cccc6ccccc56)o4)cc3)CC2)cc1.
What is the InChIKey of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is VPAVFUDHJJFJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N5O2/c33-20-22-8-10-23(11-9-22)21-37-18-16-27(17-19-37)34-30(38)25-12-14-26(15-13-25)31-35-36-32(39-31)29-7-3-5-24-4-1-2-6-28(24)29/h1-15,27H,16-19,21H2,(H,34,38).
What are the key properties of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)benzamide?
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 513.60 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 44529639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).