4-(cyanomethyl)-N,N-dimethyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidine-1-carboxamide

C23H33N5O — CID 118292254

IUPAC4-(cyanomethyl)-N,N-dimethyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(CC#N)(N2CC(CNC3CC3c3ccccc3)C2)CC1
InChIInChI=1S/C23H33N5O/c1-26(2)22(29)27-12-9-23(8-11-24,10-13-27)28-16-18(17-28)15-25-21-14-20(21)19-6-4-3-5-7-19/h3-7,18,20-21,25H,8-10,12-17H2,1-2H3
InChIKeyNOQVNHUJKIVFEW-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.49
Rot. Bonds6

About 4-(cyanomethyl)-N,N-dimethyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidine-1-carboxamide

4-(cyanomethyl)-N,N-dimethyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidine-1-carboxamide (PubChem CID 118292254) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-(cyanomethyl)-N,N-dimethyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N,N-dimethyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidine-1-carboxamide
PubChem CID118292254
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name4-(cyanomethyl)-N,N-dimethyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(CC#N)(N2CC(CNC3CC3c3ccccc3)C2)CC1
InChIInChI=1S/C23H33N5O/c1-26(2)22(29)27-12-9-23(8-11-24,10-13-27)28-16-18(17-28)15-25-21-14-20(21)19-6-4-3-5-7-19/h3-7,18,20-21,25H,8-10,12-17H2,1-2H3
InChIKeyNOQVNHUJKIVFEW-UHFFFAOYSA-N
XLogP2.49
TPSA62.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(cyanomethyl)-N,N-dimethyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidine-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 4-(cyanomethyl)-N,N-dimethyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(cyanomethyl)-N,N-dimethyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidine-1-carboxamide (CID 118292254) is 4-(cyanomethyl)-N,N-dimethyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(cyanomethyl)-N,N-dimethyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(cyanomethyl)-N,N-dimethyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidine-1-carboxamide is CN(C)C(=O)N1CCC(CC#N)(N2CC(CNC3CC3c3ccccc3)C2)CC1.
What is the InChIKey of 4-(cyanomethyl)-N,N-dimethyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidine-1-carboxamide?
The InChIKey is NOQVNHUJKIVFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-26(2)22(29)27-12-9-23(8-11-24,10-13-27)28-16-18(17-28)15-25-21-14-20(21)19-6-4-3-5-7-19/h3-7,18,20-21,25H,8-10,12-17H2,1-2H3.
What are the key properties of 4-(cyanomethyl)-N,N-dimethyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidine-1-carboxamide?
4-(cyanomethyl)-N,N-dimethyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidine-1-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N,N-dimethyl-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 118292254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).