N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

C25H30N4O4 — CID 38115680

IUPACN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1OC
InChIInChI=1S/C25H30N4O4/c1-17(20-9-10-21(31-2)22(15-20)32-3)26-25(30)19-11-13-29(14-12-19)16-23-27-24(28-33-23)18-7-5-4-6-8-18/h4-10,15,17,19H,11-14,16H2,1-3H3,(H,26,30)/t17-/m0/s1
InChIKeyILIBADMQPWTLMA-KRWDZBQOSA-N
MW450.54 g/mol
LogP3.84
Rot. Bonds8

About N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 38115680) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID38115680
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC NameN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1OC
InChIInChI=1S/C25H30N4O4/c1-17(20-9-10-21(31-2)22(15-20)32-3)26-25(30)19-11-13-29(14-12-19)16-23-27-24(28-33-23)18-7-5-4-6-8-18/h4-10,15,17,19H,11-14,16H2,1-3H3,(H,26,30)/t17-/m0/s1
InChIKeyILIBADMQPWTLMA-KRWDZBQOSA-N
XLogP3.84
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 43927940
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 43927574
N-[1-(3,4-dimethoxyphenyl)propyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926995
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide
CID 43928078
N-(2-methoxy-5-methylphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114976
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-tert-butylphenyl)ethyl]piperidine-4-carboxamide
CID 43927233
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 43926889
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 38150116
N-[1-(4-methoxyphenyl)propyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926885
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43928072
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43927312
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 43927759

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 38115680) is N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is COc1ccc([C@H](C)NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1OC.
What is the InChIKey of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ILIBADMQPWTLMA-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-17(20-9-10-21(31-2)22(15-20)32-3)26-25(30)19-11-13-29(14-12-19)16-23-27-24(28-33-23)18-7-5-4-6-8-18/h4-10,15,17,19H,11-14,16H2,1-3H3,(H,26,30)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 38115680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).