1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one

C20H29N3O3 — CID 70721447

IUPAC1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)(C)N1CC(C(=O)N2CCC(OCc3ccccn3)CC2)CC1=O
InChIInChI=1S/C20H29N3O3/c1-20(2,3)23-13-15(12-18(23)24)19(25)22-10-7-17(8-11-22)26-14-16-6-4-5-9-21-16/h4-6,9,15,17H,7-8,10-14H2,1-3H3
InChIKeyOVUQVXVSDQBXLG-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.24
Rot. Bonds4

About 1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one

1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 70721447) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID70721447
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)(C)N1CC(C(=O)N2CCC(OCc3ccccn3)CC2)CC1=O
InChIInChI=1S/C20H29N3O3/c1-20(2,3)23-13-15(12-18(23)24)19(25)22-10-7-17(8-11-22)26-14-16-6-4-5-9-21-16/h4-6,9,15,17H,7-8,10-14H2,1-3H3
InChIKeyOVUQVXVSDQBXLG-UHFFFAOYSA-N
XLogP2.24
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70714333
1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
CID 72865091
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557834
4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 131952282
(3R)-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 97150223
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 17118875
cyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 118776457
(4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97126858
1-tert-butyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 171667015
1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 70741375
(4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 97104979
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 118775788

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one (CID 70721447) is 1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one is CC(C)(C)N1CC(C(=O)N2CCC(OCc3ccccn3)CC2)CC1=O.
What is the InChIKey of 1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is OVUQVXVSDQBXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-20(2,3)23-13-15(12-18(23)24)19(25)22-10-7-17(8-11-22)26-14-16-6-4-5-9-21-16/h4-6,9,15,17H,7-8,10-14H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one?
1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 70721447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).