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

C21H24N4O3 — CID 97117430

IUPAC(4S)-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](C(=O)N2CCC(O)(c3cccnc3)CC2)CN1Cc1ccccn1
InChIInChI=1S/C21H24N4O3/c26-19-12-16(14-25(19)15-18-5-1-2-9-23-18)20(27)24-10-6-21(28,7-11-24)17-4-3-8-22-13-17/h1-5,8-9,13,16,28H,6-7,10-12,14-15H2/t16-/m0/s1
InChIKeyURWAHCBIJMAHBN-INIZCTEOSA-N
MW380.45 g/mol
LogP1.34
Rot. Bonds4

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

(4S)-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (PubChem CID 97117430) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is (4S)-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
PubChem CID97117430
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name(4S)-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](C(=O)N2CCC(O)(c3cccnc3)CC2)CN1Cc1ccccn1
InChIInChI=1S/C21H24N4O3/c26-19-12-16(14-25(19)15-18-5-1-2-9-23-18)20(27)24-10-6-21(28,7-11-24)17-4-3-8-22-13-17/h1-5,8-9,13,16,28H,6-7,10-12,14-15H2/t16-/m0/s1
InChIKeyURWAHCBIJMAHBN-INIZCTEOSA-N
XLogP1.34
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 97112054
(4S)-1-(pyridin-2-ylmethyl)-4-[4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 97130441
3-methyl-8-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 97275577
4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 131952282
(4S)-4-(4-methylsulfonylpiperazine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 94149560
(4S)-4-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindole-2-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 95532445
(4S)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97275458
(4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97200214
(4S)-4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 51940683
1-(2-phenylethyl)-4-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51262946
(4R)-1-(pyridin-2-ylmethyl)-4-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 96783398
4-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 113183939

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (CID 97117430) is (4S)-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is O=C1C[C@H](C(=O)N2CCC(O)(c3cccnc3)CC2)CN1Cc1ccccn1.
What is the InChIKey of (4S)-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is URWAHCBIJMAHBN-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-19-12-16(14-25(19)15-18-5-1-2-9-23-18)20(27)24-10-6-21(28,7-11-24)17-4-3-8-22-13-17/h1-5,8-9,13,16,28H,6-7,10-12,14-15H2/t16-/m0/s1.
What are the key properties of (4S)-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
(4S)-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 380.45 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 97117430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).