(4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one

C19H27N3O3 — CID 97112054

IUPAC(4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCC(C)(C)N1C[C@@H](C(=O)N2CCC(O)(c3cccnc3)CC2)CC1=O
InChIInChI=1S/C19H27N3O3/c1-18(2,3)22-13-14(11-16(22)23)17(24)21-9-6-19(25,7-10-21)15-5-4-8-20-12-15/h4-5,8,12,14,25H,6-7,9-11,13H2,1-3H3/t14-/m0/s1
InChIKeySKEGXOXAXRTFJA-AWEZNQCLSA-N
MW345.44 g/mol
LogP1.54
Rot. Bonds2

About (4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one

(4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 97112054) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID97112054
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCC(C)(C)N1C[C@@H](C(=O)N2CCC(O)(c3cccnc3)CC2)CC1=O
InChIInChI=1S/C19H27N3O3/c1-18(2,3)22-13-14(11-16(22)23)17(24)21-9-6-19(25,7-10-21)15-5-4-8-20-12-15/h4-5,8,12,14,25H,6-7,9-11,13H2,1-3H3/t14-/m0/s1
InChIKeySKEGXOXAXRTFJA-AWEZNQCLSA-N
XLogP1.54
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 95833425
(4S)-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97117430
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17118953
1-[(3S)-3-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-4-methylpiperazin-1-yl]ethanone
CID 95827555
1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 17081125
1-tert-butyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120732530
4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide
CID 121497817
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
(4R)-1-tert-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8549380
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 17118875
1-tert-butyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17081187
1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 70720048

Frequently Asked Questions

What is the IUPAC name of (4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one (CID 97112054) is (4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one is CC(C)(C)N1C[C@@H](C(=O)N2CCC(O)(c3cccnc3)CC2)CC1=O.
What is the InChIKey of (4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is SKEGXOXAXRTFJA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-18(2,3)22-13-14(11-16(22)23)17(24)21-9-6-19(25,7-10-21)15-5-4-8-20-12-15/h4-5,8,12,14,25H,6-7,9-11,13H2,1-3H3/t14-/m0/s1.
What are the key properties of (4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one?
(4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 345.44 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 97112054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).