[4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

C23H29N3O2 — CID 24791076

IUPAC[4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)n1
InChIInChI=1S/C23H29N3O2/c1-18-5-4-6-20(24-18)17-25-15-11-22(12-16-25)28-21-9-7-19(8-10-21)23(27)26-13-2-3-14-26/h4-10,22H,2-3,11-17H2,1H3
InChIKeyPOTQXIJMODPDMP-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.67
Rot. Bonds5

About [4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

[4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 24791076) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is [4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
PubChem CID24791076
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name[4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)n1
InChIInChI=1S/C23H29N3O2/c1-18-5-4-6-20(24-18)17-25-15-11-22(12-16-25)28-21-9-7-19(8-10-21)23(27)26-13-2-3-14-26/h4-10,22H,2-3,11-17H2,1H3
InChIKeyPOTQXIJMODPDMP-UHFFFAOYSA-N
XLogP3.67
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(4-Ethoxyphenyl)-4-[(4-methylpiperazin-1-yl)carbonyl]quinoline
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Pyridine amide, 29
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[2-(4-Ethoxyphenyl)quinolin-4-yl](pyrrolidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of [4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (CID 24791076) is [4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is Cc1cccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)n1.
What is the InChIKey of [4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is POTQXIJMODPDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-5-4-6-20(24-18)17-25-15-11-22(12-16-25)28-21-9-7-19(8-10-21)23(27)26-13-2-3-14-26/h4-10,22H,2-3,11-17H2,1H3.
What are the key properties of [4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
[4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 379.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24791076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).