(2S)-2-(1,3-dioxolan-2-yl)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine

C15H25N3O3 — CID 97158804

IUPAC(2S)-2-(1,3-dioxolan-2-yl)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine
SMILESCOc1c(CN2CCCC[C@H]2C2OCCO2)c(C)nn1C
InChIInChI=1S/C15H25N3O3/c1-11-12(14(19-3)17(2)16-11)10-18-7-5-4-6-13(18)15-20-8-9-21-15/h13,15H,4-10H2,1-3H3/t13-/m0/s1
InChIKeyFAODYQCOJMXQTD-ZDUSSCGKSA-N
MW295.38 g/mol
LogP1.46
Rot. Bonds4

About (2S)-2-(1,3-dioxolan-2-yl)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine

(2S)-2-(1,3-dioxolan-2-yl)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine (PubChem CID 97158804) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxolan-2-yl)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxolan-2-yl)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine
PubChem CID97158804
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name(2S)-2-(1,3-dioxolan-2-yl)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine
SMILESCOc1c(CN2CCCC[C@H]2C2OCCO2)c(C)nn1C
InChIInChI=1S/C15H25N3O3/c1-11-12(14(19-3)17(2)16-11)10-18-7-5-4-6-13(18)15-20-8-9-21-15/h13,15H,4-10H2,1-3H3/t13-/m0/s1
InChIKeyFAODYQCOJMXQTD-ZDUSSCGKSA-N
XLogP1.46
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678165
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 113463461
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine
CID 86788978
2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 56502007
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124575654
5-methoxy-1,3-dimethyl-4-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]pyrazole
CID 129461187
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781727
[(2S,4R)-4-fluoro-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120949422
(3R)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 99830619
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine
CID 60795954
(1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860862
6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 95270913

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dioxolan-2-yl)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of (2S)-2-(1,3-dioxolan-2-yl)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine (CID 97158804) is (2S)-2-(1,3-dioxolan-2-yl)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for (2S)-2-(1,3-dioxolan-2-yl)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for (2S)-2-(1,3-dioxolan-2-yl)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine is COc1c(CN2CCCC[C@H]2C2OCCO2)c(C)nn1C.
What is the InChIKey of (2S)-2-(1,3-dioxolan-2-yl)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine?
The InChIKey is FAODYQCOJMXQTD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11-12(14(19-3)17(2)16-11)10-18-7-5-4-6-13(18)15-20-8-9-21-15/h13,15H,4-10H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-(1,3-dioxolan-2-yl)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine?
(2S)-2-(1,3-dioxolan-2-yl)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine has a molecular weight of 295.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dioxolan-2-yl)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 97158804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).