N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide

C18H23ClN4O — CID 126428514

IUPACN-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc([C@H]2CCCNC2)n1)NCCc1ccccc1Cl
InChIInChI=1S/C18H23ClN4O/c19-16-6-2-1-4-14(16)7-10-21-18(24)13-23-11-8-17(22-23)15-5-3-9-20-12-15/h1-2,4,6,8,11,15,20H,3,5,7,9-10,12-13H2,(H,21,24)/t15-/m0/s1
InChIKeyHUMWSCIAIMAWRI-HNNXBMFYSA-N
MW346.86 g/mol
LogP2.36
Rot. Bonds6

About N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide

N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide (PubChem CID 126428514) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
PubChem CID126428514
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc([C@H]2CCCNC2)n1)NCCc1ccccc1Cl
InChIInChI=1S/C18H23ClN4O/c19-16-6-2-1-4-14(16)7-10-21-18(24)13-23-11-8-17(22-23)15-5-3-9-20-12-15/h1-2,4,6,8,11,15,20H,3,5,7,9-10,12-13H2,(H,21,24)/t15-/m0/s1
InChIKeyHUMWSCIAIMAWRI-HNNXBMFYSA-N
XLogP2.36
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126443272
N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126426695
N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119072989
N-(3-phenylsulfanylpropyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126424954
2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 119059529
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 126454178
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[3-(triazol-1-yl)propyl]acetamide
CID 126444957
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119068274
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126448055
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119069734
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;dihydrochloride
CID 154905231
N-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119068979

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide (CID 126428514) is N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide is O=C(Cn1ccc([C@H]2CCCNC2)n1)NCCc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The InChIKey is HUMWSCIAIMAWRI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c19-16-6-2-1-4-14(16)7-10-21-18(24)13-23-11-8-17(22-23)15-5-3-9-20-12-15/h1-2,4,6,8,11,15,20H,3,5,7,9-10,12-13H2,(H,21,24)/t15-/m0/s1.
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide has a molecular weight of 346.86 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 126428514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).