N,N-diethyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide

C19H33N5O3 — CID 20918519

IUPACN,N-diethyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCN(CC)C(=O)CCc1nc(CN2CCN(C(=O)CC(C)C)CC2)no1
InChIInChI=1S/C19H33N5O3/c1-5-23(6-2)18(25)8-7-17-20-16(21-27-17)14-22-9-11-24(12-10-22)19(26)13-15(3)4/h15H,5-14H2,1-4H3
InChIKeyACMCPCJYFDALRW-UHFFFAOYSA-N
MW379.51 g/mol
LogP1.56
Rot. Bonds9

About N,N-diethyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide

N,N-diethyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 20918519) has the molecular formula C19H33N5O3 and a molecular weight of 379.51 g/mol. Its IUPAC name is N,N-diethyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID20918519
Molecular FormulaC19H33N5O3
Molecular Weight379.51 g/mol
Exact Mass379.26
IUPAC NameN,N-diethyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCN(CC)C(=O)CCc1nc(CN2CCN(C(=O)CC(C)C)CC2)no1
InChIInChI=1S/C19H33N5O3/c1-5-23(6-2)18(25)8-7-17-20-16(21-27-17)14-22-9-11-24(12-10-22)19(26)13-15(3)4/h15H,5-14H2,1-4H3
InChIKeyACMCPCJYFDALRW-UHFFFAOYSA-N
XLogP1.56
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N,N-diethyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide (CID 20918519) is N,N-diethyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N,N-diethyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N,N-diethyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide is CCN(CC)C(=O)CCc1nc(CN2CCN(C(=O)CC(C)C)CC2)no1.
What is the InChIKey of N,N-diethyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is ACMCPCJYFDALRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O3/c1-5-23(6-2)18(25)8-7-17-20-16(21-27-17)14-22-9-11-24(12-10-22)19(26)13-15(3)4/h15H,5-14H2,1-4H3.
What are the key properties of N,N-diethyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide?
N,N-diethyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 379.51 g/mol, XLogP of 1.56, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 20918519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).