[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C24H30N2O2 — CID 1343519

IUPAC[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1)N1CCCC1
InChIInChI=1S/C24H30N2O2/c27-24(26-14-4-5-15-26)22-12-16-25(17-13-22)18-20-8-10-23(11-9-20)28-19-21-6-2-1-3-7-21/h1-3,6-11,22H,4-5,12-19H2
InChIKeyNQMHXQZBDWODOU-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.10
Rot. Bonds6

About [1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 1343519) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is [1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID1343519
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1)N1CCCC1
InChIInChI=1S/C24H30N2O2/c27-24(26-14-4-5-15-26)22-12-16-25(17-13-22)18-20-8-10-23(11-9-20)28-19-21-6-2-1-3-7-21/h1-3,6-11,22H,4-5,12-19H2
InChIKeyNQMHXQZBDWODOU-UHFFFAOYSA-N
XLogP4.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 1343519) is [1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1)N1CCCC1.
What is the InChIKey of [1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NQMHXQZBDWODOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c27-24(26-14-4-5-15-26)22-12-16-25(17-13-22)18-20-8-10-23(11-9-20)28-19-21-6-2-1-3-7-21/h1-3,6-11,22H,4-5,12-19H2.
What are the key properties of [1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 378.52 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 1343519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).