4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide

C21H28N4O3 — CID 72852704

IUPAC4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide
SMILESCOc1c(C)cc(NC(=O)N2CCC(Cc3noc(C4CC4)n3)CC2)cc1C
InChIInChI=1S/C21H28N4O3/c1-13-10-17(11-14(2)19(13)27-3)22-21(26)25-8-6-15(7-9-25)12-18-23-20(28-24-18)16-4-5-16/h10-11,15-16H,4-9,12H2,1-3H3,(H,22,26)
InChIKeySQPRDPIZHCSGGJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.06
Rot. Bonds5

About 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide

4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide (PubChem CID 72852704) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide
PubChem CID72852704
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide
SMILESCOc1c(C)cc(NC(=O)N2CCC(Cc3noc(C4CC4)n3)CC2)cc1C
InChIInChI=1S/C21H28N4O3/c1-13-10-17(11-14(2)19(13)27-3)22-21(26)25-8-6-15(7-9-25)12-18-23-20(28-24-18)16-4-5-16/h10-11,15-16H,4-9,12H2,1-3H3,(H,22,26)
InChIKeySQPRDPIZHCSGGJ-UHFFFAOYSA-N
XLogP4.06
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide with MolForge

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Related Compounds

2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one
CID 91791625
5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 130718798
1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 91832507
1-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 91774958
1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 72856906
1-[[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122084935
N-(3-chloro-4-methylphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 5161033
N-(3,5-dimethylphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769376
4-[(4-tert-butylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 46089269
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide
CID 122568554
3-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 91841404
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 71915800

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide (CID 72852704) is 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide is COc1c(C)cc(NC(=O)N2CCC(Cc3noc(C4CC4)n3)CC2)cc1C.
What is the InChIKey of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide?
The InChIKey is SQPRDPIZHCSGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-13-10-17(11-14(2)19(13)27-3)22-21(26)25-8-6-15(7-9-25)12-18-23-20(28-24-18)16-4-5-16/h10-11,15-16H,4-9,12H2,1-3H3,(H,22,26).
What are the key properties of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide?
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 72852704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).