[4-(1-hydroxypropyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone

C26H35N3O3 — CID 24816727

IUPAC[4-(1-hydroxypropyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
SMILESCCC(O)C1CCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)CC1
InChIInChI=1S/C26H35N3O3/c1-2-25(30)20-10-17-29(18-11-20)26(31)21-6-8-23(9-7-21)32-24-12-15-28(16-13-24)19-22-5-3-4-14-27-22/h3-9,14,20,24-25,30H,2,10-13,15-19H2,1H3
InChIKeyANPWNWZIXYMHEQ-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.75
Rot. Bonds7

About [4-(1-hydroxypropyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone

[4-(1-hydroxypropyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone (PubChem CID 24816727) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is [4-(1-hydroxypropyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name[4-(1-hydroxypropyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
PubChem CID24816727
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name[4-(1-hydroxypropyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
SMILESCCC(O)C1CCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)CC1
InChIInChI=1S/C26H35N3O3/c1-2-25(30)20-10-17-29(18-11-20)26(31)21-6-8-23(9-7-21)32-24-12-15-28(16-13-24)19-22-5-3-4-14-27-22/h3-9,14,20,24-25,30H,2,10-13,15-19H2,1H3
InChIKeyANPWNWZIXYMHEQ-UHFFFAOYSA-N
XLogP3.75
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxypropyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
The IUPAC name of [4-(1-hydroxypropyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone (CID 24816727) is [4-(1-hydroxypropyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone.
What is the SMILES notation for [4-(1-hydroxypropyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
The canonical SMILES for [4-(1-hydroxypropyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone is CCC(O)C1CCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)CC1.
What is the InChIKey of [4-(1-hydroxypropyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
The InChIKey is ANPWNWZIXYMHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-2-25(30)20-10-17-29(18-11-20)26(31)21-6-8-23(9-7-21)32-24-12-15-28(16-13-24)19-22-5-3-4-14-27-22/h3-9,14,20,24-25,30H,2,10-13,15-19H2,1H3.
What are the key properties of [4-(1-hydroxypropyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
[4-(1-hydroxypropyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone has a molecular weight of 437.58 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxypropyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone is sourced from PubChem (CID 24816727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).