(3-hydroxy-2-pyridinyl)-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone

C21H26N4O2 — CID 95707922

IUPAC(3-hydroxy-2-pyridinyl)-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1ncccc1O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C21H26N4O2/c26-19-9-4-10-22-20(19)21(27)25-11-5-8-18(16-25)24-14-12-23(13-15-24)17-6-2-1-3-7-17/h1-4,6-7,9-10,18,26H,5,8,11-16H2/t18-/m0/s1
InChIKeyUZPMIXGIXDAFAY-SFHVURJKSA-N
MW366.46 g/mol
LogP2.21
Rot. Bonds3

About (3-hydroxy-2-pyridinyl)-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone

(3-hydroxy-2-pyridinyl)-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone (PubChem CID 95707922) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3-hydroxy-2-pyridinyl)-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-2-pyridinyl)-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
PubChem CID95707922
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name(3-hydroxy-2-pyridinyl)-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1ncccc1O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C21H26N4O2/c26-19-9-4-10-22-20(19)21(27)25-11-5-8-18(16-25)24-14-12-23(13-15-24)17-6-2-1-3-7-17/h1-4,6-7,9-10,18,26H,5,8,11-16H2/t18-/m0/s1
InChIKeyUZPMIXGIXDAFAY-SFHVURJKSA-N
XLogP2.21
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 24790572
(3-hydroxypiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 60923940
2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63614455
(3-hydroxy-2-pyridinyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66203985
methyl 3-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]benzoate
CID 74229736
(3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 107518959
azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 45181952
methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate
CID 78919789
3-methoxy-1-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one
CID 26405812
[2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea
CID 95725452
(2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 45243447

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-pyridinyl)-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-hydroxy-2-pyridinyl)-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone (CID 95707922) is (3-hydroxy-2-pyridinyl)-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxy-2-pyridinyl)-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-hydroxy-2-pyridinyl)-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone is O=C(c1ncccc1O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of (3-hydroxy-2-pyridinyl)-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone?
The InChIKey is UZPMIXGIXDAFAY-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-19-9-4-10-22-20(19)21(27)25-11-5-8-18(16-25)24-14-12-23(13-15-24)17-6-2-1-3-7-17/h1-4,6-7,9-10,18,26H,5,8,11-16H2/t18-/m0/s1.
What are the key properties of (3-hydroxy-2-pyridinyl)-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone?
(3-hydroxy-2-pyridinyl)-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone has a molecular weight of 366.46 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-pyridinyl)-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95707922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).