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

C20H28N4O — CID 118290184

IUPAC4-(cyanomethyl)-N,N-dimethyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(CC#N)(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C20H28N4O/c1-23(2)19(25)24-12-9-20(8-11-21,10-13-24)15-22-18-14-17(18)16-6-4-3-5-7-16/h3-7,17-18,22H,8-10,12-15H2,1-2H3
InChIKeyHGQDHSUZCOWTMD-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.81
Rot. Bonds5

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

4-(cyanomethyl)-N,N-dimethyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxamide (PubChem CID 118290184) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-(cyanomethyl)-N,N-dimethyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N,N-dimethyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxamide
PubChem CID118290184
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-(cyanomethyl)-N,N-dimethyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(CC#N)(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C20H28N4O/c1-23(2)19(25)24-12-9-20(8-11-21,10-13-24)15-22-18-14-17(18)16-6-4-3-5-7-16/h3-7,17-18,22H,8-10,12-15H2,1-2H3
InChIKeyHGQDHSUZCOWTMD-UHFFFAOYSA-N
XLogP2.81
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N,N-dimethyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(cyanomethyl)-N,N-dimethyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxamide (CID 118290184) is 4-(cyanomethyl)-N,N-dimethyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(cyanomethyl)-N,N-dimethyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(cyanomethyl)-N,N-dimethyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxamide is CN(C)C(=O)N1CCC(CC#N)(CNC2CC2c2ccccc2)CC1.
What is the InChIKey of 4-(cyanomethyl)-N,N-dimethyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxamide?
The InChIKey is HGQDHSUZCOWTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-23(2)19(25)24-12-9-20(8-11-21,10-13-24)15-22-18-14-17(18)16-6-4-3-5-7-16/h3-7,17-18,22H,8-10,12-15H2,1-2H3.
What are the key properties of 4-(cyanomethyl)-N,N-dimethyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxamide?
4-(cyanomethyl)-N,N-dimethyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N,N-dimethyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 118290184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).