N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid

C22H34N4O5 — CID 11948897

IUPACN-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid
SMILESCN(C)c1ccc(NC(=O)CN2CCC(N3CCCCC3)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C20H32N4O.C2H2O4/c1-22(2)18-8-6-17(7-9-18)21-20(25)16-23-14-10-19(11-15-23)24-12-4-3-5-13-24;3-1(4)2(5)6/h6-9,19H,3-5,10-16H2,1-2H3,(H,21,25);(H,3,4)(H,5,6)
InChIKeyFGJRMHHGATZHHT-UHFFFAOYSA-N
MW434.54 g/mol
LogP1.80
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid

N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid (PubChem CID 11948897) has the molecular formula C22H34N4O5 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid
PubChem CID11948897
Molecular FormulaC22H34N4O5
Molecular Weight434.54 g/mol
Exact Mass434.25
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid
SMILESCN(C)c1ccc(NC(=O)CN2CCC(N3CCCCC3)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C20H32N4O.C2H2O4/c1-22(2)18-8-6-17(7-9-18)21-20(25)16-23-14-10-19(11-15-23)24-12-4-3-5-13-24;3-1(4)2(5)6/h6-9,19H,3-5,10-16H2,1-2H3,(H,21,25);(H,3,4)(H,5,6)
InChIKeyFGJRMHHGATZHHT-UHFFFAOYSA-N
XLogP1.80
TPSA113.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid (CID 11948897) is N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid is CN(C)c1ccc(NC(=O)CN2CCC(N3CCCCC3)CC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid?
The InChIKey is FGJRMHHGATZHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O.C2H2O4/c1-22(2)18-8-6-17(7-9-18)21-20(25)16-23-14-10-19(11-15-23)24-12-4-3-5-13-24;3-1(4)2(5)6/h6-9,19H,3-5,10-16H2,1-2H3,(H,21,25);(H,3,4)(H,5,6).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid?
N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid has a molecular weight of 434.54 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid is sourced from PubChem (CID 11948897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).