3-[6-[(3S)-1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide

C28H27N5O2 — CID 124953056

IUPAC3-[6-[(3S)-1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cccc([C@H]3CCCN(C(=O)c4ccccc4Cn4cccn4)C3)n2)c1
InChIInChI=1S/C28H27N5O2/c29-27(34)21-9-3-8-20(17-21)25-12-4-13-26(31-25)23-10-5-15-32(18-23)28(35)24-11-2-1-7-22(24)19-33-16-6-14-30-33/h1-4,6-9,11-14,16-17,23H,5,10,15,18-19H2,(H2,29,34)/t23-/m0/s1
InChIKeyDSXSCZSECVJJTF-QHCPKHFHSA-N
MW465.56 g/mol
LogP4.11
Rot. Bonds6

About 3-[6-[(3S)-1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide

3-[6-[(3S)-1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide (PubChem CID 124953056) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 3-[6-[(3S)-1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-[(3S)-1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide
PubChem CID124953056
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name3-[6-[(3S)-1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cccc([C@H]3CCCN(C(=O)c4ccccc4Cn4cccn4)C3)n2)c1
InChIInChI=1S/C28H27N5O2/c29-27(34)21-9-3-8-20(17-21)25-12-4-13-26(31-25)23-10-5-15-32(18-23)28(35)24-11-2-1-7-22(24)19-33-16-6-14-30-33/h1-4,6-9,11-14,16-17,23H,5,10,15,18-19H2,(H2,29,34)/t23-/m0/s1
InChIKeyDSXSCZSECVJJTF-QHCPKHFHSA-N
XLogP4.11
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-[1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide
CID 110151582
[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
CID 124985921
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
CID 132767471
3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide
CID 95809940
[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
CID 132767401
3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 110249773
3-[6-[(3S)-1-(1-methylpiperidine-4-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 95810732
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide
CID 110249286
[(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
CID 125003141
3-[6-[1-(dimethylsulfamoyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 110249555
3-[6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-3-pyridinyl]benzamide
CID 110263833

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3S)-1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of 3-[6-[(3S)-1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide (CID 124953056) is 3-[6-[(3S)-1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-[(3S)-1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-[6-[(3S)-1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide is NC(=O)c1cccc(-c2cccc([C@H]3CCCN(C(=O)c4ccccc4Cn4cccn4)C3)n2)c1.
What is the InChIKey of 3-[6-[(3S)-1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide?
The InChIKey is DSXSCZSECVJJTF-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H27N5O2/c29-27(34)21-9-3-8-20(17-21)25-12-4-13-26(31-25)23-10-5-15-32(18-23)28(35)24-11-2-1-7-22(24)19-33-16-6-14-30-33/h1-4,6-9,11-14,16-17,23H,5,10,15,18-19H2,(H2,29,34)/t23-/m0/s1.
What are the key properties of 3-[6-[(3S)-1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide?
3-[6-[(3S)-1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide has a molecular weight of 465.56 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3S)-1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 124953056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).