N-benzyl-4-ethylpiperazine-1-carboxamide

C14H21N3O — CID 858176

IUPACN-benzyl-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C14H21N3O/c1-2-16-8-10-17(11-9-16)14(18)15-12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,15,18)
InChIKeyKWSHIUQMEALEOC-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.53
Rot. Bonds3

About N-benzyl-4-ethylpiperazine-1-carboxamide

N-benzyl-4-ethylpiperazine-1-carboxamide (PubChem CID 858176) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-benzyl-4-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-ethylpiperazine-1-carboxamide
PubChem CID858176
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-benzyl-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C14H21N3O/c1-2-16-8-10-17(11-9-16)14(18)15-12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,15,18)
InChIKeyKWSHIUQMEALEOC-UHFFFAOYSA-N
XLogP1.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-ethylpiperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-ethylpiperazine-1-carboxamide (CID 858176) is N-benzyl-4-ethylpiperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-ethylpiperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-ethylpiperazine-1-carboxamide is CCN1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-4-ethylpiperazine-1-carboxamide?
The InChIKey is KWSHIUQMEALEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-16-8-10-17(11-9-16)14(18)15-12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,15,18).
What are the key properties of N-benzyl-4-ethylpiperazine-1-carboxamide?
N-benzyl-4-ethylpiperazine-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 858176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).