N-[(3,5-dimethylphenyl)methyl]piperazine-1-carboxamide

C14H21N3O — CID 134452395

IUPACN-[(3,5-dimethylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1cc(C)cc(CNC(=O)N2CCNCC2)c1
InChIInChI=1S/C14H21N3O/c1-11-7-12(2)9-13(8-11)10-16-14(18)17-5-3-15-4-6-17/h7-9,15H,3-6,10H2,1-2H3,(H,16,18)
InChIKeyARGLTAPMIMQUQW-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.42
Rot. Bonds2

About N-[(3,5-dimethylphenyl)methyl]piperazine-1-carboxamide

N-[(3,5-dimethylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 134452395) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]piperazine-1-carboxamide
PubChem CID134452395
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[(3,5-dimethylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1cc(C)cc(CNC(=O)N2CCNCC2)c1
InChIInChI=1S/C14H21N3O/c1-11-7-12(2)9-13(8-11)10-16-14(18)17-5-3-15-4-6-17/h7-9,15H,3-6,10H2,1-2H3,(H,16,18)
InChIKeyARGLTAPMIMQUQW-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(piperazine-1-carbonylamino)methyl]benzoic acid
CID 61405049
tert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate
CID 22285081
N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 95483224
tert-butyl N-[[3-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate
CID 56611439
N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 82086575
N-ethylpiperazine-1-carboxamide
CID 9207783
N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide
CID 115171574
N-[[4-(4-fluorophenyl)sulfanylphenyl]methyl]piperazine-1-carboxamide
CID 166237784
N-[(2-bromophenyl)methyl]piperazine-1-carboxamide
CID 83559377
5-[(1,4-diazepane-1-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81095292
N-(cyanomethyl)piperazine-1-carboxamide
CID 108864637
N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113106580

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]piperazine-1-carboxamide (CID 134452395) is N-[(3,5-dimethylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]piperazine-1-carboxamide is Cc1cc(C)cc(CNC(=O)N2CCNCC2)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is ARGLTAPMIMQUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-7-12(2)9-13(8-11)10-16-14(18)17-5-3-15-4-6-17/h7-9,15H,3-6,10H2,1-2H3,(H,16,18).
What are the key properties of N-[(3,5-dimethylphenyl)methyl]piperazine-1-carboxamide?
N-[(3,5-dimethylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 134452395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).