[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone

C19H25N5O2 — CID 95729066

IUPAC[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)n[nH]1)N1CCC(N2CCC[C@@H](O)C2)CC1
InChIInChI=1S/C19H25N5O2/c25-16-2-1-9-24(13-16)15-5-10-23(11-6-15)19(26)18-12-17(21-22-18)14-3-7-20-8-4-14/h3-4,7-8,12,15-16,25H,1-2,5-6,9-11,13H2,(H,21,22)/t16-/m1/s1
InChIKeyJXXPAEORGRPXMV-MRXNPFEDSA-N
MW355.44 g/mol
LogP1.53
Rot. Bonds3

About [4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone

[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone (PubChem CID 95729066) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
PubChem CID95729066
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)n[nH]1)N1CCC(N2CCC[C@@H](O)C2)CC1
InChIInChI=1S/C19H25N5O2/c25-16-2-1-9-24(13-16)15-5-10-23(11-6-15)19(26)18-12-17(21-22-18)14-3-7-20-8-4-14/h3-4,7-8,12,15-16,25H,1-2,5-6,9-11,13H2,(H,21,22)/t16-/m1/s1
InChIKeyJXXPAEORGRPXMV-MRXNPFEDSA-N
XLogP1.53
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
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pyridin-2-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
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N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of [4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone (CID 95729066) is [4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2ccncc2)n[nH]1)N1CCC(N2CCC[C@@H](O)C2)CC1.
What is the InChIKey of [4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is JXXPAEORGRPXMV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-16-2-1-9-24(13-16)15-5-10-23(11-6-15)19(26)18-12-17(21-22-18)14-3-7-20-8-4-14/h3-4,7-8,12,15-16,25H,1-2,5-6,9-11,13H2,(H,21,22)/t16-/m1/s1.
What are the key properties of [4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 95729066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).