[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(4-pyrazolidin-3-ylphenyl)methanone

C21H26N4O2 — CID 75590068

IUPAC[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(4-pyrazolidin-3-ylphenyl)methanone
SMILESO=C(c1ccc(C2CCNN2)cc1)N1CCC(C(O)c2ccccn2)CC1
InChIInChI=1S/C21H26N4O2/c26-20(19-3-1-2-11-22-19)16-9-13-25(14-10-16)21(27)17-6-4-15(5-7-17)18-8-12-23-24-18/h1-7,11,16,18,20,23-24,26H,8-10,12-14H2
InChIKeyHEEQXRWTXDWDSJ-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.21
Rot. Bonds4

About [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(4-pyrazolidin-3-ylphenyl)methanone

[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(4-pyrazolidin-3-ylphenyl)methanone (PubChem CID 75590068) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(4-pyrazolidin-3-ylphenyl)methanone.

Molecular Properties

Compound Name[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(4-pyrazolidin-3-ylphenyl)methanone
PubChem CID75590068
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(4-pyrazolidin-3-ylphenyl)methanone
SMILESO=C(c1ccc(C2CCNN2)cc1)N1CCC(C(O)c2ccccn2)CC1
InChIInChI=1S/C21H26N4O2/c26-20(19-3-1-2-11-22-19)16-9-13-25(14-10-16)21(27)17-6-4-15(5-7-17)18-8-12-23-24-18/h1-7,11,16,18,20,23-24,26H,8-10,12-14H2
InChIKeyHEEQXRWTXDWDSJ-UHFFFAOYSA-N
XLogP2.21
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 95124482
2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 99937481
7-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one
CID 99933809
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 91772101
[3-(3-hydroxyphenyl)phenyl]-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 119062941
1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 90651890
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 90650827
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 70704336
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 77091494
(2-amino-4-methylpyrimidin-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 99947231
3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 99946774
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 125171269

Frequently Asked Questions

What is the IUPAC name of [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(4-pyrazolidin-3-ylphenyl)methanone?
The IUPAC name of [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(4-pyrazolidin-3-ylphenyl)methanone (CID 75590068) is [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(4-pyrazolidin-3-ylphenyl)methanone.
What is the SMILES notation for [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(4-pyrazolidin-3-ylphenyl)methanone?
The canonical SMILES for [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(4-pyrazolidin-3-ylphenyl)methanone is O=C(c1ccc(C2CCNN2)cc1)N1CCC(C(O)c2ccccn2)CC1.
What is the InChIKey of [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(4-pyrazolidin-3-ylphenyl)methanone?
The InChIKey is HEEQXRWTXDWDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-20(19-3-1-2-11-22-19)16-9-13-25(14-10-16)21(27)17-6-4-15(5-7-17)18-8-12-23-24-18/h1-7,11,16,18,20,23-24,26H,8-10,12-14H2.
What are the key properties of [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(4-pyrazolidin-3-ylphenyl)methanone?
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(4-pyrazolidin-3-ylphenyl)methanone has a molecular weight of 366.47 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(4-pyrazolidin-3-ylphenyl)methanone is sourced from PubChem (CID 75590068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).