2-(3-chlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile

C17H21ClN4O2 — CID 110350143

IUPAC2-(3-chlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile
SMILESN#CC(c1cccc(Cl)c1)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H21ClN4O2/c18-15-3-1-2-14(12-15)16(13-19)20-4-6-21(7-5-20)17(23)22-8-10-24-11-9-22/h1-3,12,16H,4-11H2
InChIKeySJGYSIPCLVOLCJ-UHFFFAOYSA-N
MW348.83 g/mol
LogP1.97
Rot. Bonds2

About 2-(3-chlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile

2-(3-chlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile (PubChem CID 110350143) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile
PubChem CID110350143
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name2-(3-chlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile
SMILESN#CC(c1cccc(Cl)c1)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H21ClN4O2/c18-15-3-1-2-14(12-15)16(13-19)20-4-6-21(7-5-20)17(23)22-8-10-24-11-9-22/h1-3,12,16H,4-11H2
InChIKeySJGYSIPCLVOLCJ-UHFFFAOYSA-N
XLogP1.97
TPSA59.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-chlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile 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-(3-chlorophenyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetonitrile
CID 110350109
2-(3-chlorophenyl)-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetonitrile
CID 110350144
2-(3-chlorophenyl)-2-(4-propylpiperazin-1-yl)acetonitrile
CID 112539255
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(4-methylphenyl)acetonitrile
CID 110349808
2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile
CID 591795
N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 115589168
(2S)-2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 1487174
3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713477
[4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110413923
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)acetonitrile
CID 110349882
(2R)-2-(azepan-1-yl)-2-(3-hydroxyphenyl)acetonitrile
CID 9179426
2-(3-bromophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 110291770

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile?
The IUPAC name of 2-(3-chlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile (CID 110350143) is 2-(3-chlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-(3-chlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-(3-chlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile is N#CC(c1cccc(Cl)c1)N1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile?
The InChIKey is SJGYSIPCLVOLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c18-15-3-1-2-14(12-15)16(13-19)20-4-6-21(7-5-20)17(23)22-8-10-24-11-9-22/h1-3,12,16H,4-11H2.
What are the key properties of 2-(3-chlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile?
2-(3-chlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile has a molecular weight of 348.83 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile is sourced from PubChem (CID 110350143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).