2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide

C26H27N3O2 — CID 90521437

IUPAC2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C26H27N3O2/c30-25(17-20-8-10-23(11-9-20)22-5-2-1-3-6-22)28-18-21-12-15-29(16-13-21)26(31)24-7-4-14-27-19-24/h1-11,14,19,21H,12-13,15-18H2,(H,28,30)
InChIKeyVAYGNLRVKBEHQS-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.96
Rot. Bonds6

About 2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide

2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide (PubChem CID 90521437) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
PubChem CID90521437
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C26H27N3O2/c30-25(17-20-8-10-23(11-9-20)22-5-2-1-3-6-22)28-18-21-12-15-29(16-13-21)26(31)24-7-4-14-27-19-24/h1-11,14,19,21H,12-13,15-18H2,(H,28,30)
InChIKeyVAYGNLRVKBEHQS-UHFFFAOYSA-N
XLogP3.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfanyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 71786523
2-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521344
2-(3-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108924769
3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924693
3-methoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924717
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 90521329
3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
CID 90521307
3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924798
3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 90521330
2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108924733
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 90521311
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide (CID 90521437) is 2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)NCC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is VAYGNLRVKBEHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c30-25(17-20-8-10-23(11-9-20)22-5-2-1-3-6-22)28-18-21-12-15-29(16-13-21)26(31)24-7-4-14-27-19-24/h1-11,14,19,21H,12-13,15-18H2,(H,28,30).
What are the key properties of 2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide?
2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 413.52 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 90521437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).