oxetan-3-yl 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate

C19H28N4O3 — CID 167859480

IUPACoxetan-3-yl 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate
SMILESO=C(OC1COC1)N1CCCC(CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C19H28N4O3/c24-19(26-17-14-25-15-17)23-7-3-4-16(13-23)12-21-8-10-22(11-9-21)18-5-1-2-6-20-18/h1-2,5-6,16-17H,3-4,7-15H2
InChIKeyYVLGTPWOMWMGSF-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.45
Rot. Bonds4

About oxetan-3-yl 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate

oxetan-3-yl 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate (PubChem CID 167859480) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is oxetan-3-yl 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameoxetan-3-yl 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate
PubChem CID167859480
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Nameoxetan-3-yl 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate
SMILESO=C(OC1COC1)N1CCCC(CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C19H28N4O3/c24-19(26-17-14-25-15-17)23-7-3-4-16(13-23)12-21-8-10-22(11-9-21)18-5-1-2-6-20-18/h1-2,5-6,16-17H,3-4,7-15H2
InChIKeyYVLGTPWOMWMGSF-UHFFFAOYSA-N
XLogP1.45
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

3-amino-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 119902888
cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 52507166
3-methyl-1-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]but-2-en-1-one
CID 95299376
(2R)-2-methyl-1-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 94799591
(6-fluoro-2-pyridinyl)-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 97241812
(2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 52808285
(3S)-3-cyclopropyl-1-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 52533815
methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate
CID 124721465
2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 146134518
5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol
CID 110923901
[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 124701848
2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol
CID 110932614

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of oxetan-3-yl 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate (CID 167859480) is oxetan-3-yl 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for oxetan-3-yl 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for oxetan-3-yl 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate is O=C(OC1COC1)N1CCCC(CN2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of oxetan-3-yl 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate?
The InChIKey is YVLGTPWOMWMGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c24-19(26-17-14-25-15-17)23-7-3-4-16(13-23)12-21-8-10-22(11-9-21)18-5-1-2-6-20-18/h1-2,5-6,16-17H,3-4,7-15H2.
What are the key properties of oxetan-3-yl 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate?
oxetan-3-yl 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate has a molecular weight of 360.46 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 167859480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).