2-[(3-chlorophenyl)methyl-ethylamino]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone

C19H26ClN3O2 — CID 55827589

IUPAC2-[(3-chlorophenyl)methyl-ethylamino]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
SMILESCCN(CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1cccc(Cl)c1
InChIInChI=1S/C19H26ClN3O2/c1-2-21(13-15-4-3-5-17(20)12-15)14-18(24)22-8-10-23(11-9-22)19(25)16-6-7-16/h3-5,12,16H,2,6-11,13-14H2,1H3
InChIKeyMOJNJFKYNKMIBJ-UHFFFAOYSA-N
MW363.89 g/mol
LogP2.24
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl-ethylamino]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone

2-[(3-chlorophenyl)methyl-ethylamino]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone (PubChem CID 55827589) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-ethylamino]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-ethylamino]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
PubChem CID55827589
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name2-[(3-chlorophenyl)methyl-ethylamino]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
SMILESCCN(CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1cccc(Cl)c1
InChIInChI=1S/C19H26ClN3O2/c1-2-21(13-15-4-3-5-17(20)12-15)14-18(24)22-8-10-23(11-9-22)19(25)16-6-7-16/h3-5,12,16H,2,6-11,13-14H2,1H3
InChIKeyMOJNJFKYNKMIBJ-UHFFFAOYSA-N
XLogP2.24
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3-chlorophenyl)methyl-ethylamino]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 78778947
2-[4-[2-[(3-chlorophenyl)methyl-ethylamino]acetyl]piperazin-1-yl]sulfonylbenzonitrile
CID 52625014
2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 52682345
N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
1-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 20754491
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[ethyl(2-methylprop-2-enyl)amino]ethanone
CID 87013516
N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 78791266
N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 52682333
4-[(3-chlorophenyl)methyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672699
ethyl 1-[1-[(3-chlorophenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 25249218
2-[(3-chlorophenyl)methyl-ethylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 52682337
1-[(3-chlorophenyl)methylsulfonyl]-N-[4-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 46763877

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-ethylamino]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[(3-chlorophenyl)methyl-ethylamino]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone (CID 55827589) is 2-[(3-chlorophenyl)methyl-ethylamino]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-ethylamino]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-ethylamino]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone is CCN(CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-ethylamino]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone?
The InChIKey is MOJNJFKYNKMIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-2-21(13-15-4-3-5-17(20)12-15)14-18(24)22-8-10-23(11-9-22)19(25)16-6-7-16/h3-5,12,16H,2,6-11,13-14H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methyl-ethylamino]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone?
2-[(3-chlorophenyl)methyl-ethylamino]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone has a molecular weight of 363.89 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-ethylamino]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55827589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).