(2-methylpyrazol-3-yl)-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone

C21H29N5O2 — CID 91916394

IUPAC(2-methylpyrazol-3-yl)-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCC(OC2CCN(Cc3cccnc3)CC2)CC1
InChIInChI=1S/C21H29N5O2/c1-24-20(4-10-23-24)21(27)26-13-7-19(8-14-26)28-18-5-11-25(12-6-18)16-17-3-2-9-22-15-17/h2-4,9-10,15,18-19H,5-8,11-14,16H2,1H3
InChIKeyNEIVIVJZWXACGV-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.10
Rot. Bonds5

About (2-methylpyrazol-3-yl)-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone

(2-methylpyrazol-3-yl)-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone (PubChem CID 91916394) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone
PubChem CID91916394
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name(2-methylpyrazol-3-yl)-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCC(OC2CCN(Cc3cccnc3)CC2)CC1
InChIInChI=1S/C21H29N5O2/c1-24-20(4-10-23-24)21(27)26-13-7-19(8-14-26)28-18-5-11-25(12-6-18)16-17-3-2-9-22-15-17/h2-4,9-10,15,18-19H,5-8,11-14,16H2,1H3
InChIKeyNEIVIVJZWXACGV-UHFFFAOYSA-N
XLogP2.10
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone (CID 91916394) is (2-methylpyrazol-3-yl)-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone is Cn1nccc1C(=O)N1CCC(OC2CCN(Cc3cccnc3)CC2)CC1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone?
The InChIKey is NEIVIVJZWXACGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-24-20(4-10-23-24)21(27)26-13-7-19(8-14-26)28-18-5-11-25(12-6-18)16-17-3-2-9-22-15-17/h2-4,9-10,15,18-19H,5-8,11-14,16H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone has a molecular weight of 383.50 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone is sourced from PubChem (CID 91916394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).