1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one

C19H27N3O3 — CID 72865091

IUPAC1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
SMILESCCN1CC(C(=O)N2CCC(OCc3ccccn3)CC2)CCC1=O
InChIInChI=1S/C19H27N3O3/c1-2-21-13-15(6-7-18(21)23)19(24)22-11-8-17(9-12-22)25-14-16-5-3-4-10-20-16/h3-5,10,15,17H,2,6-9,11-14H2,1H3
InChIKeyXBCCWZABIZGOMX-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.85
Rot. Bonds5

About 1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one

1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 72865091) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
PubChem CID72865091
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
SMILESCCN1CC(C(=O)N2CCC(OCc3ccccn3)CC2)CCC1=O
InChIInChI=1S/C19H27N3O3/c1-2-21-13-15(6-7-18(21)23)19(24)22-11-8-17(9-12-22)25-14-16-5-3-4-10-20-16/h3-5,10,15,17H,2,6-9,11-14H2,1H3
InChIKeyXBCCWZABIZGOMX-UHFFFAOYSA-N
XLogP1.85
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 97150223
1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70721447
1-cyclopropyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70714333
4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 131952282
(5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
CID 26405057
(5R)-1-ethyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one
CID 97143515
(5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one
CID 25275352
5-(2,2-diethylmorpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)piperidin-2-one
CID 72919674
1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
CID 45179360
cyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 118776457
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 118775788
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
CID 45247271

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one (CID 72865091) is 1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one is CCN1CC(C(=O)N2CCC(OCc3ccccn3)CC2)CCC1=O.
What is the InChIKey of 1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is XBCCWZABIZGOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-21-13-15(6-7-18(21)23)19(24)22-11-8-17(9-12-22)25-14-16-5-3-4-10-20-16/h3-5,10,15,17H,2,6-9,11-14H2,1H3.
What are the key properties of 1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one?
1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 345.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 72865091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).