N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide

C23H30N4O2 — CID 46038653

IUPACN-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
SMILESCCN(C)C(=O)c1ccccc1N1CCC(NC(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C23H30N4O2/c1-4-26(3)22(28)20-7-5-6-8-21(20)27-15-13-19(14-16-27)25-23(29)24-18-11-9-17(2)10-12-18/h5-12,19H,4,13-16H2,1-3H3,(H2,24,25,29)
InChIKeyVSEHKVAULPRTBV-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.88
Rot. Bonds5

About N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide

N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide (PubChem CID 46038653) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
PubChem CID46038653
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
SMILESCCN(C)C(=O)c1ccccc1N1CCC(NC(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C23H30N4O2/c1-4-26(3)22(28)20-7-5-6-8-21(20)27-15-13-19(14-16-27)25-23(29)24-18-11-9-17(2)10-12-18/h5-12,19H,4,13-16H2,1-3H3,(H2,24,25,29)
InChIKeyVSEHKVAULPRTBV-UHFFFAOYSA-N
XLogP3.88
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide
CID 46038281
2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46038584
N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
CID 46038594
N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848447
1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea
CID 44525916
2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide
CID 46038155
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458
N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
CID 46038156
1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 17423192
N-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038655
N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848467
N-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide
CID 46038773

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide?
The IUPAC name of N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide (CID 46038653) is N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide?
The canonical SMILES for N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide is CCN(C)C(=O)c1ccccc1N1CCC(NC(=O)Nc2ccc(C)cc2)CC1.
What is the InChIKey of N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide?
The InChIKey is VSEHKVAULPRTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-4-26(3)22(28)20-7-5-6-8-21(20)27-15-13-19(14-16-27)25-23(29)24-18-11-9-17(2)10-12-18/h5-12,19H,4,13-16H2,1-3H3,(H2,24,25,29).
What are the key properties of N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide?
N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide has a molecular weight of 394.52 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide is sourced from PubChem (CID 46038653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).