phenyl 3-pyrazol-1-ylpiperidine-1-carboxylate

C15H17N3O2 — CID 110472446

IUPACphenyl 3-pyrazol-1-ylpiperidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCCC(n2cccn2)C1
InChIInChI=1S/C15H17N3O2/c19-15(20-14-7-2-1-3-8-14)17-10-4-6-13(12-17)18-11-5-9-16-18/h1-3,5,7-9,11,13H,4,6,10,12H2
InChIKeyDCULXWOOGIQTAH-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.72
Rot. Bonds2

About phenyl 3-pyrazol-1-ylpiperidine-1-carboxylate

phenyl 3-pyrazol-1-ylpiperidine-1-carboxylate (PubChem CID 110472446) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is phenyl 3-pyrazol-1-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 3-pyrazol-1-ylpiperidine-1-carboxylate
PubChem CID110472446
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Namephenyl 3-pyrazol-1-ylpiperidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCCC(n2cccn2)C1
InChIInChI=1S/C15H17N3O2/c19-15(20-14-7-2-1-3-8-14)17-10-4-6-13(12-17)18-11-5-9-16-18/h1-3,5,7-9,11,13H,4,6,10,12H2
InChIKeyDCULXWOOGIQTAH-UHFFFAOYSA-N
XLogP2.72
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate
CID 63719182
(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110474500
(4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158638
[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 100840144
(1-benzylpyrrol-2-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158674
(E)-3-(3-phenylmethoxyphenyl)-1-(3-pyrazol-1-ylpiperidin-1-yl)prop-2-en-1-one
CID 86881853
[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone
CID 95383030
[1-(2-phenylethyl)pyrrol-2-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95287919
[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95158672
phenyl 4-cyclopentylpiperazine-1-carboxylate
CID 60745355
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95382971
1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95160540

Frequently Asked Questions

What is the IUPAC name of phenyl 3-pyrazol-1-ylpiperidine-1-carboxylate?
The IUPAC name of phenyl 3-pyrazol-1-ylpiperidine-1-carboxylate (CID 110472446) is phenyl 3-pyrazol-1-ylpiperidine-1-carboxylate.
What is the SMILES notation for phenyl 3-pyrazol-1-ylpiperidine-1-carboxylate?
The canonical SMILES for phenyl 3-pyrazol-1-ylpiperidine-1-carboxylate is O=C(Oc1ccccc1)N1CCCC(n2cccn2)C1.
What is the InChIKey of phenyl 3-pyrazol-1-ylpiperidine-1-carboxylate?
The InChIKey is DCULXWOOGIQTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(20-14-7-2-1-3-8-14)17-10-4-6-13(12-17)18-11-5-9-16-18/h1-3,5,7-9,11,13H,4,6,10,12H2.
What are the key properties of phenyl 3-pyrazol-1-ylpiperidine-1-carboxylate?
phenyl 3-pyrazol-1-ylpiperidine-1-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-pyrazol-1-ylpiperidine-1-carboxylate is sourced from PubChem (CID 110472446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).