[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

C21H29N5O2 — CID 45216463

IUPAC[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(N2CCCC(O)C2)nc1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C21H29N5O2/c27-19-3-1-10-25(16-19)20-5-4-18(15-22-20)21(28)24-12-6-17(7-13-24)8-14-26-11-2-9-23-26/h2,4-5,9,11,15,17,19,27H,1,3,6-8,10,12-14,16H2
InChIKeyPXIXBEWRKOHTPV-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.18
Rot. Bonds5

About [6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 45216463) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is [6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
PubChem CID45216463
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(N2CCCC(O)C2)nc1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C21H29N5O2/c27-19-3-1-10-25(16-19)20-5-4-18(15-22-20)21(28)24-12-6-17(7-13-24)8-14-26-11-2-9-23-26/h2,4-5,9,11,15,17,19,27H,1,3,6-8,10,12-14,16H2
InChIKeyPXIXBEWRKOHTPV-UHFFFAOYSA-N
XLogP2.18
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 70779716
[6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95193057
[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72872499
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 25368785
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56750257
(4-hydroxy-3-methoxyphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 56721440
[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95205942
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
(3-hydroxypiperidin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 110883852
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 56757644
[(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 129353584
[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109160667

Frequently Asked Questions

What is the IUPAC name of [6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (CID 45216463) is [6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is O=C(c1ccc(N2CCCC(O)C2)nc1)N1CCC(CCn2cccn2)CC1.
What is the InChIKey of [6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is PXIXBEWRKOHTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c27-19-3-1-10-25(16-19)20-5-4-18(15-22-20)21(28)24-12-6-17(7-13-24)8-14-26-11-2-9-23-26/h2,4-5,9,11,15,17,19,27H,1,3,6-8,10,12-14,16H2.
What are the key properties of [6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 383.50 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 45216463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).