N-[2-chloro-5-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]acetamide;ethane

C19H28ClN3O — CID 145394795

IUPACN-[2-chloro-5-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]acetamide;ethane
SMILESCC.CC(=O)Nc1cc(CN2CCC(C)(CC#N)CC2)ccc1Cl
InChIInChI=1S/C17H22ClN3O.C2H6/c1-13(22)20-16-11-14(3-4-15(16)18)12-21-9-6-17(2,5-8-19)7-10-21;1-2/h3-4,11H,5-7,9-10,12H2,1-2H3,(H,20,22);1-2H3
InChIKeyAQNFYDLNAVLCHZ-UHFFFAOYSA-N
MW349.91 g/mol
LogP4.84
Rot. Bonds4

About N-[2-chloro-5-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]acetamide;ethane

N-[2-chloro-5-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]acetamide;ethane (PubChem CID 145394795) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is N-[2-chloro-5-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]acetamide;ethane.

Molecular Properties

Compound NameN-[2-chloro-5-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]acetamide;ethane
PubChem CID145394795
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC NameN-[2-chloro-5-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]acetamide;ethane
SMILESCC.CC(=O)Nc1cc(CN2CCC(C)(CC#N)CC2)ccc1Cl
InChIInChI=1S/C17H22ClN3O.C2H6/c1-13(22)20-16-11-14(3-4-15(16)18)12-21-9-6-17(2,5-8-19)7-10-21;1-2/h3-4,11H,5-7,9-10,12H2,1-2H3,(H,20,22);1-2H3
InChIKeyAQNFYDLNAVLCHZ-UHFFFAOYSA-N
XLogP4.84
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-chloro-5-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]acetamide;ethane 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-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane
CID 145395092
2-[1-[(4-benzylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile;ethane
CID 145395264
ethane;2-[4-methyl-1-[(3-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile
CID 145395051
N-[3-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]ethanesulfonamide
CID 147386176
2-[4-methyl-1-[[3-(methylsulfanylamino)phenyl]methyl]piperidin-4-yl]acetonitrile
CID 145394409
N-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide
CID 69106865
2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol
CID 82980138
ethane;2-[4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetonitrile
CID 145394661
2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol
CID 113282904
N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 46089334
ethane;2-[4-methyl-1-(2-phenylethyl)piperidin-4-yl]acetonitrile
CID 145395121
N-(5-amino-2-chlorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)acetamide
CID 63156744

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]acetamide;ethane?
The IUPAC name of N-[2-chloro-5-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]acetamide;ethane (CID 145394795) is N-[2-chloro-5-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]acetamide;ethane.
What is the SMILES notation for N-[2-chloro-5-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]acetamide;ethane?
The canonical SMILES for N-[2-chloro-5-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]acetamide;ethane is CC.CC(=O)Nc1cc(CN2CCC(C)(CC#N)CC2)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]acetamide;ethane?
The InChIKey is AQNFYDLNAVLCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O.C2H6/c1-13(22)20-16-11-14(3-4-15(16)18)12-21-9-6-17(2,5-8-19)7-10-21;1-2/h3-4,11H,5-7,9-10,12H2,1-2H3,(H,20,22);1-2H3.
What are the key properties of N-[2-chloro-5-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]acetamide;ethane?
N-[2-chloro-5-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]acetamide;ethane has a molecular weight of 349.91 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[4-(cyanomethyl)-4-methylpiperidin-1-yl]methyl]phenyl]acetamide;ethane is sourced from PubChem (CID 145394795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).