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

C19H23ClN4O3 — CID 91920682

IUPACN-(3-chlorophenyl)-2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCCCC1c1noc(COCC2CC2)n1
InChIInChI=1S/C19H23ClN4O3/c20-14-4-3-5-15(10-14)21-19(25)24-9-2-1-6-16(24)18-22-17(27-23-18)12-26-11-13-7-8-13/h3-5,10,13,16H,1-2,6-9,11-12H2,(H,21,25)
InChIKeyRVSSDIYMMXOAGR-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.41
Rot. Bonds6

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

N-(3-chlorophenyl)-2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (PubChem CID 91920682) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
PubChem CID91920682
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC NameN-(3-chlorophenyl)-2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCCCC1c1noc(COCC2CC2)n1
InChIInChI=1S/C19H23ClN4O3/c20-14-4-3-5-15(10-14)21-19(25)24-9-2-1-6-16(24)18-22-17(27-23-18)12-26-11-13-7-8-13/h3-5,10,13,16H,1-2,6-9,11-12H2,(H,21,25)
InChIKeyRVSSDIYMMXOAGR-UHFFFAOYSA-N
XLogP4.41
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chlorophenyl)-2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (CID 91920682) is N-(3-chlorophenyl)-2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCCCC1c1noc(COCC2CC2)n1.
What is the InChIKey of N-(3-chlorophenyl)-2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The InChIKey is RVSSDIYMMXOAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c20-14-4-3-5-15(10-14)21-19(25)24-9-2-1-6-16(24)18-22-17(27-23-18)12-26-11-13-7-8-13/h3-5,10,13,16H,1-2,6-9,11-12H2,(H,21,25).
What are the key properties of N-(3-chlorophenyl)-2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
N-(3-chlorophenyl)-2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91920682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).