N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide

C13H17F2N3O — CID 115178001

IUPACN-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide
SMILESCN1CCNC(C(=O)NCc2ccc(F)cc2F)C1
InChIInChI=1S/C13H17F2N3O/c1-18-5-4-16-12(8-18)13(19)17-7-9-2-3-10(14)6-11(9)15/h2-3,6,12,16H,4-5,7-8H2,1H3,(H,17,19)
InChIKeyGERMIQCFWVBXJO-UHFFFAOYSA-N
MW269.29 g/mol
LogP0.48
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide

N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide (PubChem CID 115178001) has the molecular formula C13H17F2N3O and a molecular weight of 269.29 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide
PubChem CID115178001
Molecular FormulaC13H17F2N3O
Molecular Weight269.29 g/mol
Exact Mass269.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide
SMILESCN1CCNC(C(=O)NCc2ccc(F)cc2F)C1
InChIInChI=1S/C13H17F2N3O/c1-18-5-4-16-12(8-18)13(19)17-7-9-2-3-10(14)6-11(9)15/h2-3,6,12,16H,4-5,7-8H2,1H3,(H,17,19)
InChIKeyGERMIQCFWVBXJO-UHFFFAOYSA-N
XLogP0.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 60737551
N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
CID 115598132
N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
CID 63795889
3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161523
N-[(2,4-difluorophenyl)methyl]-4-methyl-3-phenylmorpholine-2-carboxamide
CID 171142046
2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
CID 82237556
4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide
CID 110086689
N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide
CID 119065239
4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
CID 110086674
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119708033
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
4-methyl-N-naphthalen-2-ylpiperazine-2-carboxamide
CID 115177936

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide (CID 115178001) is N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide is CN1CCNC(C(=O)NCc2ccc(F)cc2F)C1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide?
The InChIKey is GERMIQCFWVBXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O/c1-18-5-4-16-12(8-18)13(19)17-7-9-2-3-10(14)6-11(9)15/h2-3,6,12,16H,4-5,7-8H2,1H3,(H,17,19).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide?
N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide has a molecular weight of 269.29 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide is sourced from PubChem (CID 115178001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).