N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide

C25H25N3O2 — CID 108556851

IUPACN-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide
SMILESO=C(NC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)c1ccncc1
InChIInChI=1S/C25H25N3O2/c29-24(21-11-15-26-16-12-21)27-22-13-17-28(18-14-22)25(30)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,15-16,22-23H,13-14,17-18H2,(H,27,29)
InChIKeyYXLMGSSCIXZVSB-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.63
Rot. Bonds5

About N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide

N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide (PubChem CID 108556851) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide
PubChem CID108556851
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide
SMILESO=C(NC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)c1ccncc1
InChIInChI=1S/C25H25N3O2/c29-24(21-11-15-26-16-12-21)27-22-13-17-28(18-14-22)25(30)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,15-16,22-23H,13-14,17-18H2,(H,27,29)
InChIKeyYXLMGSSCIXZVSB-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

N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108562448
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820250
3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid
CID 69360185
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555568
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108549584
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide
CID 46464176
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194
(2R)-2-methoxy-2-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 52512778
N-cyclopentylpyridine-4-carboxamide
CID 4212000

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide (CID 108556851) is N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide is O=C(NC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)c1ccncc1.
What is the InChIKey of N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide?
The InChIKey is YXLMGSSCIXZVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-24(21-11-15-26-16-12-21)27-22-13-17-28(18-14-22)25(30)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,15-16,22-23H,13-14,17-18H2,(H,27,29).
What are the key properties of N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide?
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide 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 N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 108556851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).