N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide

C19H23FN6O — CID 126448055

IUPACN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc([C@@H]2CCCNC2)n1)NCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C19H23FN6O/c20-14-3-4-16-17(10-14)24-18(23-16)5-8-22-19(27)12-26-9-6-15(25-26)13-2-1-7-21-11-13/h3-4,6,9-10,13,21H,1-2,5,7-8,11-12H2,(H,22,27)(H,23,24)/t13-/m1/s1
InChIKeyUYPSFRSRQUZXNO-CYBMUJFWSA-N
MW370.43 g/mol
LogP1.72
Rot. Bonds6

About N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide (PubChem CID 126448055) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
PubChem CID126448055
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc([C@@H]2CCCNC2)n1)NCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C19H23FN6O/c20-14-3-4-16-17(10-14)24-18(23-16)5-8-22-19(27)12-26-9-6-15(25-26)13-2-1-7-21-11-13/h3-4,6,9-10,13,21H,1-2,5,7-8,11-12H2,(H,22,27)(H,23,24)/t13-/m1/s1
InChIKeyUYPSFRSRQUZXNO-CYBMUJFWSA-N
XLogP1.72
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126442555
N-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119068979
N-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126443272
N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428514
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119068274
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 126454178
N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119072989
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[3-(triazol-1-yl)propyl]acetamide
CID 126444957
formic acid;N-(2-morpholin-4-ylethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 154904425
N-(3-phenylsulfanylpropyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126424954
N-(oxan-4-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126440551

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide (CID 126448055) is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide is O=C(Cn1ccc([C@@H]2CCCNC2)n1)NCCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The InChIKey is UYPSFRSRQUZXNO-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23FN6O/c20-14-3-4-16-17(10-14)24-18(23-16)5-8-22-19(27)12-26-9-6-15(25-26)13-2-1-7-21-11-13/h3-4,6,9-10,13,21H,1-2,5,7-8,11-12H2,(H,22,27)(H,23,24)/t13-/m1/s1.
What are the key properties of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide?
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 126448055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).