(4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone

C16H18ClN3O — CID 45180520

IUPAC(4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCCN(Cc2ccn[nH]2)C1
InChIInChI=1S/C16H18ClN3O/c17-14-5-3-12(4-6-14)16(21)13-2-1-9-20(10-13)11-15-7-8-18-19-15/h3-8,13H,1-2,9-11H2,(H,18,19)
InChIKeySXUPJBYWUWAHKS-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.16
Rot. Bonds4

About (4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone

(4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone (PubChem CID 45180520) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone
PubChem CID45180520
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name(4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCCN(Cc2ccn[nH]2)C1
InChIInChI=1S/C16H18ClN3O/c17-14-5-3-12(4-6-14)16(21)13-2-1-9-20(10-13)11-15-7-8-18-19-15/h3-8,13H,1-2,9-11H2,(H,18,19)
InChIKeySXUPJBYWUWAHKS-UHFFFAOYSA-N
XLogP3.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 45237526
(3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone
CID 45172268
(4-chlorophenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methanone
CID 25274120
(4-chlorophenyl)-[(3R)-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]methanone
CID 25460911
(4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone
CID 45225429
(4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone
CID 42198031
(4-chlorophenyl)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42361324
(4-chlorophenyl)-[(3R)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanone
CID 42520305
1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 47072465
(4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 45226307
(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone
CID 142430235
(4-chlorophenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone
CID 42209681

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone (CID 45180520) is (4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone is O=C(c1ccc(Cl)cc1)C1CCCN(Cc2ccn[nH]2)C1.
What is the InChIKey of (4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone?
The InChIKey is SXUPJBYWUWAHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-14-5-3-12(4-6-14)16(21)13-2-1-9-20(10-13)11-15-7-8-18-19-15/h3-8,13H,1-2,9-11H2,(H,18,19).
What are the key properties of (4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone?
(4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 303.79 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 45180520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).