phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone

C22H27N3O — CID 102541555

IUPACphenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCCCC1c1cccnc1N1CCCCC1
InChIInChI=1S/C22H27N3O/c26-22(18-10-3-1-4-11-18)25-17-8-5-13-20(25)19-12-9-14-23-21(19)24-15-6-2-7-16-24/h1,3-4,9-12,14,20H,2,5-8,13,15-17H2
InChIKeyXCWWCXHAOVZFFA-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.44
Rot. Bonds3

About phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone

phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone (PubChem CID 102541555) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone
PubChem CID102541555
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Namephenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCCCC1c1cccnc1N1CCCCC1
InChIInChI=1S/C22H27N3O/c26-22(18-10-3-1-4-11-18)25-17-8-5-13-20(25)19-12-9-14-23-21(19)24-15-6-2-7-16-24/h1,3-4,9-12,14,20H,2,5-8,13,15-17H2
InChIKeyXCWWCXHAOVZFFA-UHFFFAOYSA-N
XLogP4.44
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone
CID 102540565
benzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541489
[2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone
CID 102541984
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
phenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone
CID 102539451
phenyl-[(2R)-2-quinolin-6-ylpiperidin-1-yl]methanone
CID 124501089
phenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone
CID 102540070
benzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541678
benzyl 2-(2-piperazin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102541660
[2-(6-amino-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone
CID 102542837
phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 78806153
[2-(6-methoxy-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone
CID 102542591

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone (CID 102541555) is phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone is O=C(c1ccccc1)N1CCCCC1c1cccnc1N1CCCCC1.
What is the InChIKey of phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is XCWWCXHAOVZFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22(18-10-3-1-4-11-18)25-17-8-5-13-20(25)19-12-9-14-23-21(19)24-15-6-2-7-16-24/h1,3-4,9-12,14,20H,2,5-8,13,15-17H2.
What are the key properties of phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone?
phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone has a molecular weight of 349.48 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 102541555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).