[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone

C23H29N3O2 — CID 91624698

IUPAC[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(N2CCCC2COCc2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c27-23(22-10-4-5-13-24-22)25-15-11-20(12-16-25)26-14-6-9-21(26)18-28-17-19-7-2-1-3-8-19/h1-5,7-8,10,13,20-21H,6,9,11-12,14-18H2
InChIKeyGYTPQQBWFIIUCP-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.37
Rot. Bonds6

About [4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone

[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 91624698) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is [4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID91624698
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(N2CCCC2COCc2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c27-23(22-10-4-5-13-24-22)25-15-11-20(12-16-25)26-14-6-9-21(26)18-28-17-19-7-2-1-3-8-19/h1-5,7-8,10,13,20-21H,6,9,11-12,14-18H2
InChIKeyGYTPQQBWFIIUCP-UHFFFAOYSA-N
XLogP3.37
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone (CID 91624698) is [4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCC(N2CCCC2COCc2ccccc2)CC1.
What is the InChIKey of [4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is GYTPQQBWFIIUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-23(22-10-4-5-13-24-22)25-15-11-20(12-16-25)26-14-6-9-21(26)18-28-17-19-7-2-1-3-8-19/h1-5,7-8,10,13,20-21H,6,9,11-12,14-18H2.
What are the key properties of [4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 379.50 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 91624698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).