piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone

C22H27N3O2 — CID 72924715

IUPACpiperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone
SMILESO=C(c1ccc(OC2CCN(c3ccncc3)CC2)cc1)N1CCCCC1
InChIInChI=1S/C22H27N3O2/c26-22(25-14-2-1-3-15-25)18-4-6-20(7-5-18)27-21-10-16-24(17-11-21)19-8-12-23-13-9-19/h4-9,12-13,21H,1-3,10-11,14-17H2
InChIKeyIAGHEIBINLFMII-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.76
Rot. Bonds4

About piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone

piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone (PubChem CID 72924715) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone
PubChem CID72924715
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Namepiperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone
SMILESO=C(c1ccc(OC2CCN(c3ccncc3)CC2)cc1)N1CCCCC1
InChIInChI=1S/C22H27N3O2/c26-22(25-14-2-1-3-15-25)18-4-6-20(7-5-18)27-21-10-16-24(17-11-21)19-8-12-23-13-9-19/h4-9,12-13,21H,1-3,10-11,14-17H2
InChIKeyIAGHEIBINLFMII-UHFFFAOYSA-N
XLogP3.76
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 90649725
(4-morpholin-4-ylphenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255930
[4-[1-(oxan-4-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26314860
[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone
CID 69354891
piperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone
CID 26328776
1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid
CID 119354149
6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile
CID 72855974
(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
(4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone
CID 166377495
1H-pyrazol-4-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 131929770
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone?
The IUPAC name of piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone (CID 72924715) is piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone?
The canonical SMILES for piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone is O=C(c1ccc(OC2CCN(c3ccncc3)CC2)cc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone?
The InChIKey is IAGHEIBINLFMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-22(25-14-2-1-3-15-25)18-4-6-20(7-5-18)27-21-10-16-24(17-11-21)19-8-12-23-13-9-19/h4-9,12-13,21H,1-3,10-11,14-17H2.
What are the key properties of piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone?
piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone has a molecular weight of 365.48 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone is sourced from PubChem (CID 72924715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).