propan-2-yl N'-(2-chlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate

C18H26ClN3O2 — CID 4664400

IUPACpropan-2-yl N'-(2-chlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
SMILESCC(C)O/C(=N/C(=O)c1ccccc1Cl)N(C)C1CCN(C)CC1
InChIInChI=1S/C18H26ClN3O2/c1-13(2)24-18(22(4)14-9-11-21(3)12-10-14)20-17(23)15-7-5-6-8-16(15)19/h5-8,13-14H,9-12H2,1-4H3/b20-18+
InChIKeySPZCGBMLRLUNPS-CZIZESTLSA-N
MW351.88 g/mol
LogP3.29
Rot. Bonds3

About propan-2-yl N'-(2-chlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate

propan-2-yl N'-(2-chlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate (PubChem CID 4664400) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is propan-2-yl N'-(2-chlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate.

Molecular Properties

Compound Namepropan-2-yl N'-(2-chlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
PubChem CID4664400
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Namepropan-2-yl N'-(2-chlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
SMILESCC(C)O/C(=N/C(=O)c1ccccc1Cl)N(C)C1CCN(C)CC1
InChIInChI=1S/C18H26ClN3O2/c1-13(2)24-18(22(4)14-9-11-21(3)12-10-14)20-17(23)15-7-5-6-8-16(15)19/h5-8,13-14H,9-12H2,1-4H3/b20-18+
InChIKeySPZCGBMLRLUNPS-CZIZESTLSA-N
XLogP3.29
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze propan-2-yl N'-(2-chlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate 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 propan-2-yl N'-(2-chlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate?
The IUPAC name of propan-2-yl N'-(2-chlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate (CID 4664400) is propan-2-yl N'-(2-chlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate.
What is the SMILES notation for propan-2-yl N'-(2-chlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate?
The canonical SMILES for propan-2-yl N'-(2-chlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate is CC(C)O/C(=N/C(=O)c1ccccc1Cl)N(C)C1CCN(C)CC1.
What is the InChIKey of propan-2-yl N'-(2-chlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate?
The InChIKey is SPZCGBMLRLUNPS-CZIZESTLSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-13(2)24-18(22(4)14-9-11-21(3)12-10-14)20-17(23)15-7-5-6-8-16(15)19/h5-8,13-14H,9-12H2,1-4H3/b20-18+.
What are the key properties of propan-2-yl N'-(2-chlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate?
propan-2-yl N'-(2-chlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate has a molecular weight of 351.88 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N'-(2-chlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate is sourced from PubChem (CID 4664400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).