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

C21H28N4O4 — CID 91920684

IUPAC2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCCC2c2noc(COCC3CC3)n2)cc1
InChIInChI=1S/C21H28N4O4/c1-27-17-9-7-15(8-10-17)12-22-21(26)25-11-3-2-4-18(25)20-23-19(29-24-20)14-28-13-16-5-6-16/h7-10,16,18H,2-6,11-14H2,1H3,(H,22,26)
InChIKeyWNGMQKDUFSKZHN-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.44
Rot. Bonds8

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

2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 91920684) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID91920684
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCCC2c2noc(COCC3CC3)n2)cc1
InChIInChI=1S/C21H28N4O4/c1-27-17-9-7-15(8-10-17)12-22-21(26)25-11-3-2-4-18(25)20-23-19(29-24-20)14-28-13-16-5-6-16/h7-10,16,18H,2-6,11-14H2,1H3,(H,22,26)
InChIKeyWNGMQKDUFSKZHN-UHFFFAOYSA-N
XLogP3.44
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94051830
N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 75415422
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 90641715
(2R)-2-(4-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-1-carboxamide
CID 97004854
N-[(4-methoxyphenyl)methyl]-2-(4-propyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 87052145
(2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
CID 125123416
2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
CID 91920649
[2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91920672
2-hydroxy-1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 110269475
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 53338102
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679
(2R)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922749

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide (CID 91920684) is 2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCCCC2c2noc(COCC3CC3)n2)cc1.
What is the InChIKey of 2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is WNGMQKDUFSKZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-27-17-9-7-15(8-10-17)12-22-21(26)25-11-3-2-4-18(25)20-23-19(29-24-20)14-28-13-16-5-6-16/h7-10,16,18H,2-6,11-14H2,1H3,(H,22,26).
What are the key properties of 2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 91920684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).