(4-aminophenyl)-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]methanone

C18H20N4O2 — CID 89180119

IUPAC(4-aminophenyl)-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccccn2)CCN1C(=O)c1ccc(N)cc1
InChIInChI=1S/C18H20N4O2/c1-13-12-21(18(24)16-4-2-3-9-20-16)10-11-22(13)17(23)14-5-7-15(19)8-6-14/h2-9,13H,10-12,19H2,1H3/t13-/m0/s1
InChIKeyCWTZHGBUYZROPL-ZDUSSCGKSA-N
MW324.38 g/mol
LogP1.65
Rot. Bonds2

About (4-aminophenyl)-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]methanone

(4-aminophenyl)-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 89180119) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (4-aminophenyl)-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminophenyl)-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
PubChem CID89180119
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(4-aminophenyl)-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccccn2)CCN1C(=O)c1ccc(N)cc1
InChIInChI=1S/C18H20N4O2/c1-13-12-21(18(24)16-4-2-3-9-20-16)10-11-22(13)17(23)14-5-7-15(19)8-6-14/h2-9,13H,10-12,19H2,1H3/t13-/m0/s1
InChIKeyCWTZHGBUYZROPL-ZDUSSCGKSA-N
XLogP1.65
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110741099
tert-butyl 4-(4-aminobenzoyl)-3-methylpiperazine-1-carboxylate
CID 168509862
(3S)-4-benzoyl-3-methylpiperazine-1-carboxylic acid
CID 68755834
(3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110662556
[(3S)-4-(4-iodobenzoyl)-3-methylpiperazin-1-yl]-(4-iodophenyl)methanone
CID 98089596
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone
CID 46880773
[(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-2-ylmethanone
CID 124830842
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
[4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 139375717
[4-(pyridine-2-carbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 38786418

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-aminophenyl)-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]methanone (CID 89180119) is (4-aminophenyl)-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-aminophenyl)-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-aminophenyl)-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]methanone is C[C@H]1CN(C(=O)c2ccccn2)CCN1C(=O)c1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl)-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is CWTZHGBUYZROPL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-12-21(18(24)16-4-2-3-9-20-16)10-11-22(13)17(23)14-5-7-15(19)8-6-14/h2-9,13H,10-12,19H2,1H3/t13-/m0/s1.
What are the key properties of (4-aminophenyl)-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
(4-aminophenyl)-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 324.38 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 89180119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).