N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide

C26H26N4O — CID 121108971

IUPACN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide
SMILESN#Cc1cccnc1N1CCC(CNC(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H26N4O/c27-18-23-12-7-15-28-25(23)30-16-13-20(14-17-30)19-29-26(31)24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,15,20,24H,13-14,16-17,19H2,(H,29,31)
InChIKeyZCDHSMWOAMQTFB-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.12
Rot. Bonds6

About N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide

N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide (PubChem CID 121108971) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide
PubChem CID121108971
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC NameN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide
SMILESN#Cc1cccnc1N1CCC(CNC(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H26N4O/c27-18-23-12-7-15-28-25(23)30-16-13-20(14-17-30)19-29-26(31)24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,15,20,24H,13-14,16-17,19H2,(H,29,31)
InChIKeyZCDHSMWOAMQTFB-UHFFFAOYSA-N
XLogP4.12
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide?
The IUPAC name of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide (CID 121108971) is N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide is N#Cc1cccnc1N1CCC(CNC(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide?
The InChIKey is ZCDHSMWOAMQTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c27-18-23-12-7-15-28-25(23)30-16-13-20(14-17-30)19-29-26(31)24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,15,20,24H,13-14,16-17,19H2,(H,29,31).
What are the key properties of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide?
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide has a molecular weight of 410.52 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide is sourced from PubChem (CID 121108971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).