N-[[1-(3-amino-4-cyanophenyl)piperidin-4-yl]methyl]acetamide

C15H20N4O — CID 102735880

IUPACN-[[1-(3-amino-4-cyanophenyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccc(C#N)c(N)c2)CC1
InChIInChI=1S/C15H20N4O/c1-11(20)18-10-12-4-6-19(7-5-12)14-3-2-13(9-16)15(17)8-14/h2-3,8,12H,4-7,10,17H2,1H3,(H,18,20)
InChIKeyJCMRGAHZGZEMFA-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.49
Rot. Bonds3

About N-[[1-(3-amino-4-cyanophenyl)piperidin-4-yl]methyl]acetamide

N-[[1-(3-amino-4-cyanophenyl)piperidin-4-yl]methyl]acetamide (PubChem CID 102735880) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[1-(3-amino-4-cyanophenyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(3-amino-4-cyanophenyl)piperidin-4-yl]methyl]acetamide
PubChem CID102735880
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[[1-(3-amino-4-cyanophenyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccc(C#N)c(N)c2)CC1
InChIInChI=1S/C15H20N4O/c1-11(20)18-10-12-4-6-19(7-5-12)14-3-2-13(9-16)15(17)8-14/h2-3,8,12H,4-7,10,17H2,1H3,(H,18,20)
InChIKeyJCMRGAHZGZEMFA-UHFFFAOYSA-N
XLogP1.49
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-amino-4-cyanophenyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(3-amino-4-cyanophenyl)piperidin-4-yl]methyl]acetamide (CID 102735880) is N-[[1-(3-amino-4-cyanophenyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(3-amino-4-cyanophenyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(3-amino-4-cyanophenyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2ccc(C#N)c(N)c2)CC1.
What is the InChIKey of N-[[1-(3-amino-4-cyanophenyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is JCMRGAHZGZEMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(20)18-10-12-4-6-19(7-5-12)14-3-2-13(9-16)15(17)8-14/h2-3,8,12H,4-7,10,17H2,1H3,(H,18,20).
What are the key properties of N-[[1-(3-amino-4-cyanophenyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(3-amino-4-cyanophenyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-amino-4-cyanophenyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102735880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).