(2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide

C20H24N4O2 — CID 124984883

IUPAC(2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2ccccn2)CCN1CCc1ccccc1
InChIInChI=1S/C20H24N4O2/c1-21-19(25)18-15-24(20(26)17-9-5-6-11-22-17)14-13-23(18)12-10-16-7-3-2-4-8-16/h2-9,11,18H,10,12-15H2,1H3,(H,21,25)/t18-/m0/s1
InChIKeyNNUOJHSKZMVNHY-SFHVURJKSA-N
MW352.44 g/mol
LogP1.20
Rot. Bonds5

About (2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide

(2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide (PubChem CID 124984883) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide
PubChem CID124984883
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2ccccn2)CCN1CCc1ccccc1
InChIInChI=1S/C20H24N4O2/c1-21-19(25)18-15-24(20(26)17-9-5-6-11-22-17)14-13-23(18)12-10-16-7-3-2-4-8-16/h2-9,11,18H,10,12-15H2,1H3,(H,21,25)/t18-/m0/s1
InChIKeyNNUOJHSKZMVNHY-SFHVURJKSA-N
XLogP1.20
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-methyl-4-(4-methylpyrimidine-5-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125025072
(2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125018642
(2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124940245
4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110086321
4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110086102
4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide
CID 110086108
4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110085990
4-(1-methyl-6-oxopyridazine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 175658274
1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 110086182
N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide
CID 124942684
(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110741099
N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42240976

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide (CID 124984883) is (2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide is CNC(=O)[C@@H]1CN(C(=O)c2ccccn2)CCN1CCc1ccccc1.
What is the InChIKey of (2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide?
The InChIKey is NNUOJHSKZMVNHY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-21-19(25)18-15-24(20(26)17-9-5-6-11-22-17)14-13-23(18)12-10-16-7-3-2-4-8-16/h2-9,11,18H,10,12-15H2,1H3,(H,21,25)/t18-/m0/s1.
What are the key properties of (2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide?
(2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 124984883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).