4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

C22H26N4O3 — CID 131952282

IUPAC4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCC(OCc3cccnc3)CC2)CN1Cc1ccccn1
InChIInChI=1S/C22H26N4O3/c27-21-12-18(14-26(21)15-19-5-1-2-9-24-19)22(28)25-10-6-20(7-11-25)29-16-17-4-3-8-23-13-17/h1-5,8-9,13,18,20H,6-7,10-12,14-16H2
InChIKeyDNLFQTJIRYVIMC-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.03
Rot. Bonds6

About 4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (PubChem CID 131952282) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
PubChem CID131952282
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCC(OCc3cccnc3)CC2)CN1Cc1ccccn1
InChIInChI=1S/C22H26N4O3/c27-21-12-18(14-26(21)15-19-5-1-2-9-24-19)22(28)25-10-6-20(7-11-25)29-16-17-4-3-8-23-13-17/h1-5,8-9,13,18,20H,6-7,10-12,14-16H2
InChIKeyDNLFQTJIRYVIMC-UHFFFAOYSA-N
XLogP2.03
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-phenylmethoxypiperidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 131915998
(4S)-1-(pyridin-2-ylmethyl)-4-[4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 97130441
(4S)-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97117430
1-cyclopropyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70714333
1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
CID 45179360
1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
CID 72865091
1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70721447
(4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97200214
(4R)-1-(pyridin-2-ylmethyl)-4-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 96783398
(4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97153223
(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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (CID 131952282) is 4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCC(OCc3cccnc3)CC2)CN1Cc1ccccn1.
What is the InChIKey of 4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is DNLFQTJIRYVIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-21-12-18(14-26(21)15-19-5-1-2-9-24-19)22(28)25-10-6-20(7-11-25)29-16-17-4-3-8-23-13-17/h1-5,8-9,13,18,20H,6-7,10-12,14-16H2.
What are the key properties of 4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 394.48 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 131952282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).