5-[4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

C20H31N3O2 — CID 45195122

IUPAC5-[4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)(C)CN1CCC(C2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1
InChIInChI=1S/C20H31N3O2/c1-20(2,3)14-22-9-6-17(13-22)15-7-10-23(11-8-15)19(25)16-4-5-18(24)21-12-16/h4-5,12,15,17H,6-11,13-14H2,1-3H3,(H,21,24)
InChIKeyNYCRJCUWQCQTHB-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.60
Rot. Bonds3

About 5-[4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

5-[4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 45195122) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 5-[4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID45195122
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name5-[4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)(C)CN1CCC(C2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1
InChIInChI=1S/C20H31N3O2/c1-20(2,3)14-22-9-6-17(13-22)15-7-10-23(11-8-15)19(25)16-4-5-18(24)21-12-16/h4-5,12,15,17H,6-11,13-14H2,1-3H3,(H,21,24)
InChIKeyNYCRJCUWQCQTHB-UHFFFAOYSA-N
XLogP2.60
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 45195122) is 5-[4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is CC(C)(C)CN1CCC(C2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1.
What is the InChIKey of 5-[4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is NYCRJCUWQCQTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-20(2,3)14-22-9-6-17(13-22)15-7-10-23(11-8-15)19(25)16-4-5-18(24)21-12-16/h4-5,12,15,17H,6-11,13-14H2,1-3H3,(H,21,24).
What are the key properties of 5-[4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
5-[4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 345.49 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 45195122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).