(1-acetylpiperidin-4-yl) 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate

C19H27N3O4 — CID 158554982

IUPAC(1-acetylpiperidin-4-yl) 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate
SMILESCC(=O)N1CCC(OC(=O)N2CCCCC2COc2cccnc2)CC1
InChIInChI=1S/C19H27N3O4/c1-15(23)21-11-7-17(8-12-21)26-19(24)22-10-3-2-5-16(22)14-25-18-6-4-9-20-13-18/h4,6,9,13,16-17H,2-3,5,7-8,10-12,14H2,1H3
InChIKeySTYLIMSYYVEMJR-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.46
Rot. Bonds4

About (1-acetylpiperidin-4-yl) 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate

(1-acetylpiperidin-4-yl) 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate (PubChem CID 158554982) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is (1-acetylpiperidin-4-yl) 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name(1-acetylpiperidin-4-yl) 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate
PubChem CID158554982
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name(1-acetylpiperidin-4-yl) 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate
SMILESCC(=O)N1CCC(OC(=O)N2CCCCC2COc2cccnc2)CC1
InChIInChI=1S/C19H27N3O4/c1-15(23)21-11-7-17(8-12-21)26-19(24)22-10-3-2-5-16(22)14-25-18-6-4-9-20-13-18/h4,6,9,13,16-17H,2-3,5,7-8,10-12,14H2,1H3
InChIKeySTYLIMSYYVEMJR-UHFFFAOYSA-N
XLogP2.46
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate
CID 147274685
(5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone
CID 158213092
[4-methyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone
CID 123977373
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
(E)-but-2-enedioic acid;3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 66629517
(2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone
CID 159745251
N-propan-2-yl-4-[[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide
CID 163339987
tert-butyl (2R)-2-[(6-methyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 54565827
(2-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate
CID 24878113
1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 142036385
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
tert-butyl 2-[(4-phenoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 69003420

Frequently Asked Questions

What is the IUPAC name of (1-acetylpiperidin-4-yl) 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate?
The IUPAC name of (1-acetylpiperidin-4-yl) 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate (CID 158554982) is (1-acetylpiperidin-4-yl) 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for (1-acetylpiperidin-4-yl) 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate?
The canonical SMILES for (1-acetylpiperidin-4-yl) 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate is CC(=O)N1CCC(OC(=O)N2CCCCC2COc2cccnc2)CC1.
What is the InChIKey of (1-acetylpiperidin-4-yl) 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate?
The InChIKey is STYLIMSYYVEMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-15(23)21-11-7-17(8-12-21)26-19(24)22-10-3-2-5-16(22)14-25-18-6-4-9-20-13-18/h4,6,9,13,16-17H,2-3,5,7-8,10-12,14H2,1H3.
What are the key properties of (1-acetylpiperidin-4-yl) 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate?
(1-acetylpiperidin-4-yl) 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylpiperidin-4-yl) 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 158554982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).