2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide

C25H25N3O2 — CID 108549584

IUPAC2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(NC1CCN(C(=O)c2cccnc2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25N3O2/c29-24(23(19-8-3-1-4-9-19)20-10-5-2-6-11-20)27-22-13-16-28(17-14-22)25(30)21-12-7-15-26-18-21/h1-12,15,18,22-23H,13-14,16-17H2,(H,27,29)
InChIKeyIBWMPVAIKKSIEH-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.63
Rot. Bonds5

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

2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide (PubChem CID 108549584) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
PubChem CID108549584
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(NC1CCN(C(=O)c2cccnc2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25N3O2/c29-24(23(19-8-3-1-4-9-19)20-10-5-2-6-11-20)27-22-13-16-28(17-14-22)25(30)21-12-7-15-26-18-21/h1-12,15,18,22-23H,13-14,16-17H2,(H,27,29)
InChIKeyIBWMPVAIKKSIEH-UHFFFAOYSA-N
XLogP3.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 108563311
2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108924891
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108551944
1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821121
1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821123
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108556851
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
2,6-dimethoxy-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 108549740
(E)-3-(2-fluorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide
CID 108924924

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide (CID 108549584) is 2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide is O=C(NC1CCN(C(=O)c2cccnc2)CC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is IBWMPVAIKKSIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-24(23(19-8-3-1-4-9-19)20-10-5-2-6-11-20)27-22-13-16-28(17-14-22)25(30)21-12-7-15-26-18-21/h1-12,15,18,22-23H,13-14,16-17H2,(H,27,29).
What are the key properties of 2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide?
2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 399.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108549584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).