N-[1-[2-[4-(dimethylamino)anilino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide

C22H34N4O2 — CID 3220816

IUPACN-[1-[2-[4-(dimethylamino)anilino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESCN(C)c1ccc(NC(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C22H34N4O2/c1-25(2)20-10-8-18(9-11-20)23-21(27)16-26-14-12-19(13-15-26)24-22(28)17-6-4-3-5-7-17/h8-11,17,19H,3-7,12-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyAXKQCDFAHXLLOS-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.85
Rot. Bonds6

About N-[1-[2-[4-(dimethylamino)anilino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide

N-[1-[2-[4-(dimethylamino)anilino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 3220816) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[1-[2-[4-(dimethylamino)anilino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-[4-(dimethylamino)anilino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
PubChem CID3220816
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-[1-[2-[4-(dimethylamino)anilino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESCN(C)c1ccc(NC(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C22H34N4O2/c1-25(2)20-10-8-18(9-11-20)23-21(27)16-26-14-12-19(13-15-26)24-22(28)17-6-4-3-5-7-17/h8-11,17,19H,3-7,12-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyAXKQCDFAHXLLOS-UHFFFAOYSA-N
XLogP2.85
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-[2-[4-(dimethylamino)anilino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(dimethylamino)anilino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[2-[4-(dimethylamino)anilino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide (CID 3220816) is N-[1-[2-[4-(dimethylamino)anilino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[2-[4-(dimethylamino)anilino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[2-[4-(dimethylamino)anilino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide is CN(C)c1ccc(NC(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)cc1.
What is the InChIKey of N-[1-[2-[4-(dimethylamino)anilino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is AXKQCDFAHXLLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-25(2)20-10-8-18(9-11-20)23-21(27)16-26-14-12-19(13-15-26)24-22(28)17-6-4-3-5-7-17/h8-11,17,19H,3-7,12-16H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[1-[2-[4-(dimethylamino)anilino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide?
N-[1-[2-[4-(dimethylamino)anilino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 386.54 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(dimethylamino)anilino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 3220816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).