6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile

C22H24N4O2 — CID 72855974

IUPAC6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)n1
InChIInChI=1S/C22H24N4O2/c23-16-18-4-3-5-21(24-18)25-14-10-20(11-15-25)28-19-8-6-17(7-9-19)22(27)26-12-1-2-13-26/h3-9,20H,1-2,10-15H2
InChIKeyGMJSWFSTDOEQHO-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.24
Rot. Bonds4

About 6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile

6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 72855974) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID72855974
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)n1
InChIInChI=1S/C22H24N4O2/c23-16-18-4-3-5-21(24-18)25-14-10-20(11-15-25)28-19-8-6-17(7-9-19)22(27)26-12-1-2-13-26/h3-9,20H,1-2,10-15H2
InChIKeyGMJSWFSTDOEQHO-UHFFFAOYSA-N
XLogP3.24
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[2-(piperidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile
CID 72838338
6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile
CID 133392332
6-[4-(4-nitrobenzoyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 122132156
piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone
CID 72924715
N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclobutanecarboxamide
CID 163357560
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
cyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone
CID 42194632
1-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-cyclohexylurea
CID 133392231
6-(4-aminopiperidin-1-yl)pyridine-2-carbonitrile
CID 64587586
[4-[1-(oxan-4-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26314860
2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone
CID 25280317
[4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 67168008

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile (CID 72855974) is 6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile is N#Cc1cccc(N2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)n1.
What is the InChIKey of 6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is GMJSWFSTDOEQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-16-18-4-3-5-21(24-18)25-14-10-20(11-15-25)28-19-8-6-17(7-9-19)22(27)26-12-1-2-13-26/h3-9,20H,1-2,10-15H2.
What are the key properties of 6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile?
6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 376.46 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 72855974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).