(3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

C21H21ClN4O3 — CID 1456069

IUPAC(3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)n2)c1
InChIInChI=1S/C21H21ClN4O3/c1-28-18-6-2-4-14(12-18)19-24-20(29-25-19)15-5-3-11-26(13-15)21(27)23-17-9-7-16(22)8-10-17/h2,4,6-10,12,15H,3,5,11,13H2,1H3,(H,23,27)/t15-/m1/s1
InChIKeyBNABNQIURISULD-OAHLLOKOSA-N
MW412.88 g/mol
LogP4.81
Rot. Bonds4

About (3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

(3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 1456069) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is (3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID1456069
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC Name(3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)n2)c1
InChIInChI=1S/C21H21ClN4O3/c1-28-18-6-2-4-14(12-18)19-24-20(29-25-19)15-5-3-11-26(13-15)21(27)23-17-9-7-16(22)8-10-17/h2,4,6-10,12,15H,3,5,11,13H2,1H3,(H,23,27)/t15-/m1/s1
InChIKeyBNABNQIURISULD-OAHLLOKOSA-N
XLogP4.81
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(3-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454485
(3R)-N-(3,4-difluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7347891
N-(3-fluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 3226032
N-(3-methoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760777
(3R)-N-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1456358
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 3989669
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 42760859
(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 1456372
(3-methoxyphenyl)-[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456109
N-(3-chloro-4-methylphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 5161033
1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 4646807
1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 3348960

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 1456069) is (3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is COc1cccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)n2)c1.
What is the InChIKey of (3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is BNABNQIURISULD-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c1-28-18-6-2-4-14(12-18)19-24-20(29-25-19)15-5-3-11-26(13-15)21(27)23-17-9-7-16(22)8-10-17/h2,4,6-10,12,15H,3,5,11,13H2,1H3,(H,23,27)/t15-/m1/s1.
What are the key properties of (3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
(3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 412.88 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 1456069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).