N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide

C16H24ClN3O — CID 98798824

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(C)CCN1CC(=O)N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C16H24ClN3O/c1-12-10-19(3)8-9-20(12)11-16(21)18-13(2)14-6-4-5-7-15(14)17/h4-7,12-13H,8-11H2,1-3H3,(H,18,21)/t12-,13-/m1/s1
InChIKeyJVVYYUJEHGHBQW-CHWSQXEVSA-N
MW309.84 g/mol
LogP2.15
Rot. Bonds4

About N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide

N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide (PubChem CID 98798824) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
PubChem CID98798824
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(C)CCN1CC(=O)N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C16H24ClN3O/c1-12-10-19(3)8-9-20(12)11-16(21)18-13(2)14-6-4-5-7-15(14)17/h4-7,12-13H,8-11H2,1-3H3,(H,18,21)/t12-,13-/m1/s1
InChIKeyJVVYYUJEHGHBQW-CHWSQXEVSA-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

N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
CID 98798810
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894573
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 115969183
N-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide
CID 60537959
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2S)-2,4-dimethylpiperazin-1-yl]acetamide
CID 97094331
2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119920519
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 31321499
N-[1-(2-chlorophenyl)ethyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
CID 17396578
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 124828647
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 92508260
ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 46800821
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide (CID 98798824) is N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide is C[C@@H]1CN(C)CCN1CC(=O)N[C@H](C)c1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide?
The InChIKey is JVVYYUJEHGHBQW-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-12-10-19(3)8-9-20(12)11-16(21)18-13(2)14-6-4-5-7-15(14)17/h4-7,12-13H,8-11H2,1-3H3,(H,18,21)/t12-,13-/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide?
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide 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-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide is sourced from PubChem (CID 98798824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).