N-benzyl-2,5-dimethylpiperazine-1-carboxamide

C14H21N3O — CID 107654149

IUPACN-benzyl-2,5-dimethylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)NCc2ccccc2)C(C)CN1
InChIInChI=1S/C14H21N3O/c1-11-10-17(12(2)8-15-11)14(18)16-9-13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3,(H,16,18)
InChIKeyPCWUEWZTPPLEKO-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.58
Rot. Bonds2

About N-benzyl-2,5-dimethylpiperazine-1-carboxamide

N-benzyl-2,5-dimethylpiperazine-1-carboxamide (PubChem CID 107654149) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-benzyl-2,5-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,5-dimethylpiperazine-1-carboxamide
PubChem CID107654149
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-benzyl-2,5-dimethylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)NCc2ccccc2)C(C)CN1
InChIInChI=1S/C14H21N3O/c1-11-10-17(12(2)8-15-11)14(18)16-9-13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3,(H,16,18)
InChIKeyPCWUEWZTPPLEKO-UHFFFAOYSA-N
XLogP1.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide
CID 110746835
4-[[(2-methyl-4-phenylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 122021125
N-benzyl-2,6-dimethylpiperidine-1-carboxamide
CID 110755036
N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976872
N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide
CID 107653612
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
(2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide
CID 101423033
N-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47121151
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-benzyl-4-methylimidazolidine-1-carbothioamide
CID 166803860
N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 104954561

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,5-dimethylpiperazine-1-carboxamide?
The IUPAC name of N-benzyl-2,5-dimethylpiperazine-1-carboxamide (CID 107654149) is N-benzyl-2,5-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-2,5-dimethylpiperazine-1-carboxamide?
The canonical SMILES for N-benzyl-2,5-dimethylpiperazine-1-carboxamide is CC1CN(C(=O)NCc2ccccc2)C(C)CN1.
What is the InChIKey of N-benzyl-2,5-dimethylpiperazine-1-carboxamide?
The InChIKey is PCWUEWZTPPLEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-10-17(12(2)8-15-11)14(18)16-9-13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-benzyl-2,5-dimethylpiperazine-1-carboxamide?
N-benzyl-2,5-dimethylpiperazine-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,5-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 107654149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).