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

C21H21ClN4O2 — CID 16580752

IUPACN-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1)c1ccccc1
InChIInChI=1S/C21H21ClN4O2/c22-17-8-6-16(7-9-17)21-25-24-19(28-21)14-26-12-10-18(11-13-26)23-20(27)15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,23,27)
InChIKeyQDQWBMCJDBQAQR-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.78
Rot. Bonds5

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

N-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide (PubChem CID 16580752) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide
PubChem CID16580752
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1)c1ccccc1
InChIInChI=1S/C21H21ClN4O2/c22-17-8-6-16(7-9-17)21-25-24-19(28-21)14-26-12-10-18(11-13-26)23-20(27)15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,23,27)
InChIKeyQDQWBMCJDBQAQR-UHFFFAOYSA-N
XLogP3.78
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide
CID 33106508
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2-methylphenyl)piperidin-4-amine
CID 56829243
N-(1-benzylpiperidin-4-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 26691415
N-cyclopropyl-4-methyl-3-[4-[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 10476224
2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 33110569
2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8688023
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide
CID 112822743
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide
CID 21413251
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 46341484
N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]benzamide
CID 43049757

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide (CID 16580752) is N-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide is O=C(NC1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide?
The InChIKey is QDQWBMCJDBQAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c22-17-8-6-16(7-9-17)21-25-24-19(28-21)14-26-12-10-18(11-13-26)23-20(27)15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,23,27).
What are the key properties of N-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide?
N-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide has a molecular weight of 396.88 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 16580752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).