(2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide

C13H19N3O2 — CID 82756445

IUPAC(2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCNC[C@@H]2C)cc1
InChIInChI=1S/C13H19N3O2/c1-10-9-14-7-8-16(10)13(17)15-11-3-5-12(18-2)6-4-11/h3-6,10,14H,7-9H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyDJZZVFYTHCBCHG-JTQLQIEISA-N
MW249.31 g/mol
LogP1.52
Rot. Bonds2

About (2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide

(2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide (PubChem CID 82756445) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
PubChem CID82756445
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCNC[C@@H]2C)cc1
InChIInChI=1S/C13H19N3O2/c1-10-9-14-7-8-16(10)13(17)15-11-3-5-12(18-2)6-4-11/h3-6,10,14H,7-9H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyDJZZVFYTHCBCHG-JTQLQIEISA-N
XLogP1.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide
CID 82755656
2-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 141003239
2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 24877661
N-[4-(4-methoxyphenyl)phthalazin-1-yl]-2-methylpiperazine-1-carboxamide
CID 123727358
2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119472935
3-(4-methoxyphenyl)-1-(2-methylpiperazin-1-yl)but-2-en-1-one
CID 126766989
N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878344
(2S)-N-(4-methoxyphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide
CID 7423405
N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 16771863
2-[(3-fluorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide;hydrochloride
CID 66796722
2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119470085
N-[4-(4-methoxyphenyl)phenyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878565

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide (CID 82756445) is (2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide is COc1ccc(NC(=O)N2CCNC[C@@H]2C)cc1.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide?
The InChIKey is DJZZVFYTHCBCHG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-9-14-7-8-16(10)13(17)15-11-3-5-12(18-2)6-4-11/h3-6,10,14H,7-9H2,1-2H3,(H,15,17)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide?
(2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 82756445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).