(1R)-2,2-dichloro-1-methyl-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]cyclopropane-1-carboxamide

C18H23Cl2N3O — CID 27520078

IUPAC(1R)-2,2-dichloro-1-methyl-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]cyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)NN=C2CCN(CCc3ccccc3)CC2)CC1(Cl)Cl
InChIInChI=1S/C18H23Cl2N3O/c1-17(13-18(17,19)20)16(24)22-21-15-8-11-23(12-9-15)10-7-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyAPIZCAGQTZZQAA-QGZVFWFLSA-N
MW368.31 g/mol
LogP3.38
Rot. Bonds5

About (1R)-2,2-dichloro-1-methyl-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]cyclopropane-1-carboxamide

(1R)-2,2-dichloro-1-methyl-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]cyclopropane-1-carboxamide (PubChem CID 27520078) has the molecular formula C18H23Cl2N3O and a molecular weight of 368.31 g/mol. Its IUPAC name is (1R)-2,2-dichloro-1-methyl-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dichloro-1-methyl-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]cyclopropane-1-carboxamide
PubChem CID27520078
Molecular FormulaC18H23Cl2N3O
Molecular Weight368.31 g/mol
Exact Mass367.12
IUPAC Name(1R)-2,2-dichloro-1-methyl-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]cyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)NN=C2CCN(CCc3ccccc3)CC2)CC1(Cl)Cl
InChIInChI=1S/C18H23Cl2N3O/c1-17(13-18(17,19)20)16(24)22-21-15-8-11-23(12-9-15)10-7-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyAPIZCAGQTZZQAA-QGZVFWFLSA-N
XLogP3.38
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1R)-2,2-dichloro-1-methyl-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]cyclopropane-1-carboxamide 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 (1R)-2,2-dichloro-1-methyl-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dichloro-1-methyl-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]cyclopropane-1-carboxamide (CID 27520078) is (1R)-2,2-dichloro-1-methyl-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dichloro-1-methyl-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dichloro-1-methyl-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]cyclopropane-1-carboxamide is C[C@]1(C(=O)NN=C2CCN(CCc3ccccc3)CC2)CC1(Cl)Cl.
What is the InChIKey of (1R)-2,2-dichloro-1-methyl-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]cyclopropane-1-carboxamide?
The InChIKey is APIZCAGQTZZQAA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23Cl2N3O/c1-17(13-18(17,19)20)16(24)22-21-15-8-11-23(12-9-15)10-7-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of (1R)-2,2-dichloro-1-methyl-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]cyclopropane-1-carboxamide?
(1R)-2,2-dichloro-1-methyl-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]cyclopropane-1-carboxamide has a molecular weight of 368.31 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dichloro-1-methyl-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]cyclopropane-1-carboxamide is sourced from PubChem (CID 27520078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).