N-[3-[5-[(3R)-1-(4-chloro-2-methoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide

C24H25ClN4O4 — CID 92897596

IUPACN-[3-[5-[(3R)-1-(4-chloro-2-methoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(Cl)cc4OC)C3)n2)c1
InChIInChI=1S/C24H25ClN4O4/c1-3-21(30)26-18-8-4-6-15(12-18)22-27-23(33-28-22)16-7-5-11-29(14-16)24(31)19-10-9-17(25)13-20(19)32-2/h4,6,8-10,12-13,16H,3,5,7,11,14H2,1-2H3,(H,26,30)/t16-/m1/s1
InChIKeyDPBOJGLIMVIVRB-MRXNPFEDSA-N
MW468.94 g/mol
LogP4.77
Rot. Bonds6

About N-[3-[5-[(3R)-1-(4-chloro-2-methoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide

N-[3-[5-[(3R)-1-(4-chloro-2-methoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (PubChem CID 92897596) has the molecular formula C24H25ClN4O4 and a molecular weight of 468.94 g/mol. Its IUPAC name is N-[3-[5-[(3R)-1-(4-chloro-2-methoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[5-[(3R)-1-(4-chloro-2-methoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
PubChem CID92897596
Molecular FormulaC24H25ClN4O4
Molecular Weight468.94 g/mol
Exact Mass468.16
IUPAC NameN-[3-[5-[(3R)-1-(4-chloro-2-methoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(Cl)cc4OC)C3)n2)c1
InChIInChI=1S/C24H25ClN4O4/c1-3-21(30)26-18-8-4-6-15(12-18)22-27-23(33-28-22)16-7-5-11-29(14-16)24(31)19-10-9-17(25)13-20(19)32-2/h4,6,8-10,12-13,16H,3,5,7,11,14H2,1-2H3,(H,26,30)/t16-/m1/s1
InChIKeyDPBOJGLIMVIVRB-MRXNPFEDSA-N
XLogP4.77
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.94
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[5-[1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 50835670
N-[3-[5-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 53011876
N-[3-[5-[(3S)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897581
N-[3-[5-[1-(2,4-dimethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 50835826
N-[3-[5-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897565
N-[3-[5-[(3S)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897609
N-[3-[5-[(3S)-1-(3-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897567
N-[3-[5-[(3S)-1-[2-(4-methoxyphenoxy)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897619
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 42764576
(3R)-N-(3-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454485
N-[3-[5-[(3S)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 95092407
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 42760479

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(3R)-1-(4-chloro-2-methoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The IUPAC name of N-[3-[5-[(3R)-1-(4-chloro-2-methoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (CID 92897596) is N-[3-[5-[(3R)-1-(4-chloro-2-methoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[5-[(3R)-1-(4-chloro-2-methoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[5-[(3R)-1-(4-chloro-2-methoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(Cl)cc4OC)C3)n2)c1.
What is the InChIKey of N-[3-[5-[(3R)-1-(4-chloro-2-methoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The InChIKey is DPBOJGLIMVIVRB-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H25ClN4O4/c1-3-21(30)26-18-8-4-6-15(12-18)22-27-23(33-28-22)16-7-5-11-29(14-16)24(31)19-10-9-17(25)13-20(19)32-2/h4,6,8-10,12-13,16H,3,5,7,11,14H2,1-2H3,(H,26,30)/t16-/m1/s1.
What are the key properties of N-[3-[5-[(3R)-1-(4-chloro-2-methoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
N-[3-[5-[(3R)-1-(4-chloro-2-methoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide has a molecular weight of 468.94 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(3R)-1-(4-chloro-2-methoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is sourced from PubChem (CID 92897596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).