(5S)-5-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]pyrrolidin-2-one

C19H26N2O3 — CID 29085018

IUPAC(5S)-5-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCC(CO)(CCc3ccccc3)CC2)N1
InChIInChI=1S/C19H26N2O3/c22-14-19(9-8-15-4-2-1-3-5-15)10-12-21(13-11-19)18(24)16-6-7-17(23)20-16/h1-5,16,22H,6-14H2,(H,20,23)/t16-/m0/s1
InChIKeyFYZOSWKSIXQQRX-INIZCTEOSA-N
MW330.43 g/mol
LogP1.50
Rot. Bonds5

About (5S)-5-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]pyrrolidin-2-one

(5S)-5-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 29085018) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (5S)-5-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID29085018
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(5S)-5-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCC(CO)(CCc3ccccc3)CC2)N1
InChIInChI=1S/C19H26N2O3/c22-14-19(9-8-15-4-2-1-3-5-15)10-12-21(13-11-19)18(24)16-6-7-17(23)20-16/h1-5,16,22H,6-14H2,(H,20,23)/t16-/m0/s1
InChIKeyFYZOSWKSIXQQRX-INIZCTEOSA-N
XLogP1.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 29085018) is (5S)-5-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]pyrrolidin-2-one is O=C1CC[C@@H](C(=O)N2CCC(CO)(CCc3ccccc3)CC2)N1.
What is the InChIKey of (5S)-5-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is FYZOSWKSIXQQRX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-14-19(9-8-15-4-2-1-3-5-15)10-12-21(13-11-19)18(24)16-6-7-17(23)20-16/h1-5,16,22H,6-14H2,(H,20,23)/t16-/m0/s1.
What are the key properties of (5S)-5-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
(5S)-5-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 330.43 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 29085018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).