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

C20H25ClN4O3 — CID 131933729

IUPAC1-(2-chlorobenzoyl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCCCc1noc(CN(C)C(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)n1
InChIInChI=1S/C20H25ClN4O3/c1-3-6-17-22-18(28-23-17)13-24(2)19(26)14-9-11-25(12-10-14)20(27)15-7-4-5-8-16(15)21/h4-5,7-8,14H,3,6,9-13H2,1-2H3
InChIKeyFGASROMNRNLEMH-UHFFFAOYSA-N
MW404.90 g/mol
LogP3.19
Rot. Bonds6

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

1-(2-chlorobenzoyl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 131933729) has the molecular formula C20H25ClN4O3 and a molecular weight of 404.90 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID131933729
Molecular FormulaC20H25ClN4O3
Molecular Weight404.90 g/mol
Exact Mass404.16
IUPAC Name1-(2-chlorobenzoyl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCCCc1noc(CN(C)C(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)n1
InChIInChI=1S/C20H25ClN4O3/c1-3-6-17-22-18(28-23-17)13-24(2)19(26)14-9-11-25(12-10-14)20(27)15-7-4-5-8-16(15)21/h4-5,7-8,14H,3,6,9-13H2,1-2H3
InChIKeyFGASROMNRNLEMH-UHFFFAOYSA-N
XLogP3.19
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-chlorobenzoyl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 131933729) is 1-(2-chlorobenzoyl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chlorobenzoyl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chlorobenzoyl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is CCCc1noc(CN(C)C(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)n1.
What is the InChIKey of 1-(2-chlorobenzoyl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is FGASROMNRNLEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O3/c1-3-6-17-22-18(28-23-17)13-24(2)19(26)14-9-11-25(12-10-14)20(27)15-7-4-5-8-16(15)21/h4-5,7-8,14H,3,6,9-13H2,1-2H3.
What are the key properties of 1-(2-chlorobenzoyl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
1-(2-chlorobenzoyl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 404.90 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorobenzoyl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 131933729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).