4-(4-benzylpiperidine-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one

C22H30N2O3 — CID 71801381

IUPAC4-(4-benzylpiperidine-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCOCC2)C1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H30N2O3/c25-21-15-19(16-24(21)20-8-12-27-13-9-20)22(26)23-10-6-18(7-11-23)14-17-4-2-1-3-5-17/h1-5,18-20H,6-16H2
InChIKeyCBYBAYZTLAOWRQ-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.50
Rot. Bonds4

About 4-(4-benzylpiperidine-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one

4-(4-benzylpiperidine-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one (PubChem CID 71801381) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 4-(4-benzylpiperidine-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-benzylpiperidine-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one
PubChem CID71801381
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name4-(4-benzylpiperidine-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCOCC2)C1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H30N2O3/c25-21-15-19(16-24(21)20-8-12-27-13-9-20)22(26)23-10-6-18(7-11-23)14-17-4-2-1-3-5-17/h1-5,18-20H,6-16H2
InChIKeyCBYBAYZTLAOWRQ-UHFFFAOYSA-N
XLogP2.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidine-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(4-benzylpiperidine-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one (CID 71801381) is 4-(4-benzylpiperidine-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-benzylpiperidine-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-benzylpiperidine-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one is O=C(C1CC(=O)N(C2CCOCC2)C1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzylpiperidine-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one?
The InChIKey is CBYBAYZTLAOWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c25-21-15-19(16-24(21)20-8-12-27-13-9-20)22(26)23-10-6-18(7-11-23)14-17-4-2-1-3-5-17/h1-5,18-20H,6-16H2.
What are the key properties of 4-(4-benzylpiperidine-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one?
4-(4-benzylpiperidine-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one has a molecular weight of 370.49 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidine-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 71801381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).