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

C19H26N4O3 — CID 50948340

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4-(4-methylphenoxy)piperidine-4-carboxamide
SMILESCCc1nc(CN(C)C(=O)C2(Oc3ccc(C)cc3)CCNCC2)no1
InChIInChI=1S/C19H26N4O3/c1-4-17-21-16(22-26-17)13-23(3)18(24)19(9-11-20-12-10-19)25-15-7-5-14(2)6-8-15/h5-8,20H,4,9-13H2,1-3H3
InChIKeyYYHHKYOBKSMSOX-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.10
Rot. Bonds6

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

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4-(4-methylphenoxy)piperidine-4-carboxamide (PubChem CID 50948340) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4-(4-methylphenoxy)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4-(4-methylphenoxy)piperidine-4-carboxamide
PubChem CID50948340
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4-(4-methylphenoxy)piperidine-4-carboxamide
SMILESCCc1nc(CN(C)C(=O)C2(Oc3ccc(C)cc3)CCNCC2)no1
InChIInChI=1S/C19H26N4O3/c1-4-17-21-16(22-26-17)13-23(3)18(24)19(9-11-20-12-10-19)25-15-7-5-14(2)6-8-15/h5-8,20H,4,9-13H2,1-3H3
InChIKeyYYHHKYOBKSMSOX-UHFFFAOYSA-N
XLogP2.10
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4-(4-methylphenoxy)piperidine-4-carboxamide?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4-(4-methylphenoxy)piperidine-4-carboxamide (CID 50948340) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4-(4-methylphenoxy)piperidine-4-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4-(4-methylphenoxy)piperidine-4-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4-(4-methylphenoxy)piperidine-4-carboxamide is CCc1nc(CN(C)C(=O)C2(Oc3ccc(C)cc3)CCNCC2)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4-(4-methylphenoxy)piperidine-4-carboxamide?
The InChIKey is YYHHKYOBKSMSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-4-17-21-16(22-26-17)13-23(3)18(24)19(9-11-20-12-10-19)25-15-7-5-14(2)6-8-15/h5-8,20H,4,9-13H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4-(4-methylphenoxy)piperidine-4-carboxamide?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4-(4-methylphenoxy)piperidine-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4-(4-methylphenoxy)piperidine-4-carboxamide is sourced from PubChem (CID 50948340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).