N,N-diethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide

C12H21N5O2 — CID 110419080

IUPACN,N-diethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(c2nnc(C)o2)CC1
InChIInChI=1S/C12H21N5O2/c1-4-15(5-2)12(18)17-8-6-16(7-9-17)11-14-13-10(3)19-11/h4-9H2,1-3H3
InChIKeyJWCCQBUVNVVBSN-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.96
Rot. Bonds3

About N,N-diethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide

N,N-diethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide (PubChem CID 110419080) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N,N-diethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
PubChem CID110419080
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN,N-diethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(c2nnc(C)o2)CC1
InChIInChI=1S/C12H21N5O2/c1-4-15(5-2)12(18)17-8-6-16(7-9-17)11-14-13-10(3)19-11/h4-9H2,1-3H3
InChIKeyJWCCQBUVNVVBSN-UHFFFAOYSA-N
XLogP0.96
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide (CID 110419080) is N,N-diethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(c2nnc(C)o2)CC1.
What is the InChIKey of N,N-diethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is JWCCQBUVNVVBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-15(5-2)12(18)17-8-6-16(7-9-17)11-14-13-10(3)19-11/h4-9H2,1-3H3.
What are the key properties of N,N-diethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide?
N,N-diethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 110419080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).