(2,4-diphenylpiperidin-1-yl)-[(3S)-4-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanone

C30H34N2O2 — CID 143821628

IUPAC(2,4-diphenylpiperidin-1-yl)-[(3S)-4-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanone
SMILESCOCc1cccc(C2CNC[C@H]2C(=O)N2CCC(c3ccccc3)CC2c2ccccc2)c1
InChIInChI=1S/C30H34N2O2/c1-34-21-22-9-8-14-26(17-22)27-19-31-20-28(27)30(33)32-16-15-25(23-10-4-2-5-11-23)18-29(32)24-12-6-3-7-13-24/h2-14,17,25,27-29,31H,15-16,18-21H2,1H3/t25?,27?,28-,29?/m1/s1
InChIKeyILXOCCPVKHDBRZ-GWBIHYEXSA-N
MW454.61 g/mol
LogP5.28
Rot. Bonds6

About (2,4-diphenylpiperidin-1-yl)-[(3S)-4-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanone

(2,4-diphenylpiperidin-1-yl)-[(3S)-4-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanone (PubChem CID 143821628) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is (2,4-diphenylpiperidin-1-yl)-[(3S)-4-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(2,4-diphenylpiperidin-1-yl)-[(3S)-4-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanone
PubChem CID143821628
Molecular FormulaC30H34N2O2
Molecular Weight454.61 g/mol
Exact Mass454.26
IUPAC Name(2,4-diphenylpiperidin-1-yl)-[(3S)-4-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanone
SMILESCOCc1cccc(C2CNC[C@H]2C(=O)N2CCC(c3ccccc3)CC2c2ccccc2)c1
InChIInChI=1S/C30H34N2O2/c1-34-21-22-9-8-14-26(17-22)27-19-31-20-28(27)30(33)32-16-15-25(23-10-4-2-5-11-23)18-29(32)24-12-6-3-7-13-24/h2-14,17,25,27-29,31H,15-16,18-21H2,1H3/t25?,27?,28-,29?/m1/s1
InChIKeyILXOCCPVKHDBRZ-GWBIHYEXSA-N
XLogP5.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-diphenylpiperidin-1-yl)-[(3S)-4-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanone?
The IUPAC name of (2,4-diphenylpiperidin-1-yl)-[(3S)-4-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanone (CID 143821628) is (2,4-diphenylpiperidin-1-yl)-[(3S)-4-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanone.
What is the SMILES notation for (2,4-diphenylpiperidin-1-yl)-[(3S)-4-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanone?
The canonical SMILES for (2,4-diphenylpiperidin-1-yl)-[(3S)-4-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanone is COCc1cccc(C2CNC[C@H]2C(=O)N2CCC(c3ccccc3)CC2c2ccccc2)c1.
What is the InChIKey of (2,4-diphenylpiperidin-1-yl)-[(3S)-4-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanone?
The InChIKey is ILXOCCPVKHDBRZ-GWBIHYEXSA-N. The full InChI is InChI=1S/C30H34N2O2/c1-34-21-22-9-8-14-26(17-22)27-19-31-20-28(27)30(33)32-16-15-25(23-10-4-2-5-11-23)18-29(32)24-12-6-3-7-13-24/h2-14,17,25,27-29,31H,15-16,18-21H2,1H3/t25?,27?,28-,29?/m1/s1.
What are the key properties of (2,4-diphenylpiperidin-1-yl)-[(3S)-4-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanone?
(2,4-diphenylpiperidin-1-yl)-[(3S)-4-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanone has a molecular weight of 454.61 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diphenylpiperidin-1-yl)-[(3S)-4-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanone is sourced from PubChem (CID 143821628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).