N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-ylpropanamide

C16H24ClN3O — CID 62979413

IUPACN-[1-(4-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)N(C)C(C)c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C16H24ClN3O/c1-12(14-4-6-15(17)7-5-14)19(3)16(21)13(2)20-10-8-18-9-11-20/h4-7,12-13,18H,8-11H2,1-3H3
InChIKeyGIIVCESMCULOGZ-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.15
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-ylpropanamide

N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-ylpropanamide (PubChem CID 62979413) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-ylpropanamide
PubChem CID62979413
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)N(C)C(C)c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C16H24ClN3O/c1-12(14-4-6-15(17)7-5-14)19(3)16(21)13(2)20-10-8-18-9-11-20/h4-7,12-13,18H,8-11H2,1-3H3
InChIKeyGIIVCESMCULOGZ-UHFFFAOYSA-N
XLogP2.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915495
(2R)-N,N-dimethyl-2-piperazin-1-ylpropanamide
CID 28906098
N-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide
CID 61417366
N-methyl-N-(4-methylpentan-2-yl)-2-piperazin-1-ylpropanamide
CID 55000406
N-[1-(4-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 115579428
methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate
CID 28819369
(2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929186
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide
CID 61439956
2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylpropanamide
CID 111111278
N-(4-chlorophenyl)-N-methylpiperazine-1-carboxamide
CID 115171510
3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide
CID 76979825
N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,4-diazepane-1-sulfonamide
CID 62979528

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-ylpropanamide (CID 62979413) is N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-ylpropanamide is CC(C(=O)N(C)C(C)c1ccc(Cl)cc1)N1CCNCC1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is GIIVCESMCULOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-12(14-4-6-15(17)7-5-14)19(3)16(21)13(2)20-10-8-18-9-11-20/h4-7,12-13,18H,8-11H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-ylpropanamide?
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 309.84 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 62979413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).