N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylbutanamide

C18H28ClN3O — CID 10359736

IUPACN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H28ClN3O/c1-4-18(2,3)17(23)20-9-10-21-11-13-22(14-12-21)16-7-5-15(19)6-8-16/h5-8H,4,9-14H2,1-3H3,(H,20,23)
InChIKeyXIGWRMXCBASJKN-UHFFFAOYSA-N
MW337.89 g/mol
LogP3.01
Rot. Bonds6

About N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylbutanamide

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylbutanamide (PubChem CID 10359736) has the molecular formula C18H28ClN3O and a molecular weight of 337.89 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylbutanamide
PubChem CID10359736
Molecular FormulaC18H28ClN3O
Molecular Weight337.89 g/mol
Exact Mass337.19
IUPAC NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H28ClN3O/c1-4-18(2,3)17(23)20-9-10-21-11-13-22(14-12-21)16-7-5-15(19)6-8-16/h5-8H,4,9-14H2,1-3H3,(H,20,23)
InChIKeyXIGWRMXCBASJKN-UHFFFAOYSA-N
XLogP3.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylbutanamide (CID 10359736) is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylbutanamide?
The InChIKey is XIGWRMXCBASJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O/c1-4-18(2,3)17(23)20-9-10-21-11-13-22(14-12-21)16-7-5-15(19)6-8-16/h5-8H,4,9-14H2,1-3H3,(H,20,23).
What are the key properties of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylbutanamide?
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylbutanamide has a molecular weight of 337.89 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 10359736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).