(2R)-4-methyl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide

C12H18N4O — CID 125015608

IUPAC(2R)-4-methyl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide
SMILESCN1CCN(Cc2ccncc2)[C@@H](C(N)=O)C1
InChIInChI=1S/C12H18N4O/c1-15-6-7-16(11(9-15)12(13)17)8-10-2-4-14-5-3-10/h2-5,11H,6-9H2,1H3,(H2,13,17)/t11-/m1/s1
InChIKeyWUXDZRKHWFBUEX-LLVKDONJSA-N
MW234.30 g/mol
LogP-0.32
Rot. Bonds3

About (2R)-4-methyl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide

(2R)-4-methyl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide (PubChem CID 125015608) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is (2R)-4-methyl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-methyl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide
PubChem CID125015608
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name(2R)-4-methyl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide
SMILESCN1CCN(Cc2ccncc2)[C@@H](C(N)=O)C1
InChIInChI=1S/C12H18N4O/c1-15-6-7-16(11(9-15)12(13)17)8-10-2-4-14-5-3-10/h2-5,11H,6-9H2,1H3,(H2,13,17)/t11-/m1/s1
InChIKeyWUXDZRKHWFBUEX-LLVKDONJSA-N
XLogP-0.32
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 75506916
4-(pyridin-4-ylmethyl)morpholine-3-carboxamide
CID 132970427
ethyl 1-(pyridin-4-ylmethyl)aziridine-2-carboxylate
CID 117009967
1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
(2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 125001348
(2S,4S)-4-methoxy-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 128979752
1-(pyridin-4-ylmethyl)azepane-2-carboxylic acid
CID 64562578
methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
CID 115371320
2-[1-[(4-chlorophenyl)methyl]-4-methylpiperazin-2-yl]acetamide
CID 69355303
(2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide
CID 124944737
1-[(3R)-3-phenyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 125008142
(2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide
CID 95811288

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-4-methyl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide (CID 125015608) is (2R)-4-methyl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-methyl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-4-methyl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide is CN1CCN(Cc2ccncc2)[C@@H](C(N)=O)C1.
What is the InChIKey of (2R)-4-methyl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The InChIKey is WUXDZRKHWFBUEX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N4O/c1-15-6-7-16(11(9-15)12(13)17)8-10-2-4-14-5-3-10/h2-5,11H,6-9H2,1H3,(H2,13,17)/t11-/m1/s1.
What are the key properties of (2R)-4-methyl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
(2R)-4-methyl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 125015608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).