[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone

C16H17N3O — CID 94993839

IUPAC[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCNC[C@@H]1c1ccccc1
InChIInChI=1S/C16H17N3O/c20-16(14-7-4-8-17-11-14)19-10-9-18-12-15(19)13-5-2-1-3-6-13/h1-8,11,15,18H,9-10,12H2/t15-/m1/s1
InChIKeyZCRCDVLNFHXXLZ-OAHLLOKOSA-N
MW267.33 g/mol
LogP1.87
Rot. Bonds2

About [(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone

[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 94993839) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is [(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID94993839
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCNC[C@@H]1c1ccccc1
InChIInChI=1S/C16H17N3O/c20-16(14-7-4-8-17-11-14)19-10-9-18-12-15(19)13-5-2-1-3-6-13/h1-8,11,15,18H,9-10,12H2/t15-/m1/s1
InChIKeyZCRCDVLNFHXXLZ-OAHLLOKOSA-N
XLogP1.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780
[(2S)-2-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 124998935
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120878927
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731720
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729585
[4-(1,3-dithian-2-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729661
(4-bromo-3-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732014
(3-bromo-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730620
(3-chloro-5-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731063
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone (CID 94993839) is [(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCNC[C@@H]1c1ccccc1.
What is the InChIKey of [(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is ZCRCDVLNFHXXLZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16(14-7-4-8-17-11-14)19-10-9-18-12-15(19)13-5-2-1-3-6-13/h1-8,11,15,18H,9-10,12H2/t15-/m1/s1.
What are the key properties of [(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone?
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 267.33 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 94993839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).