N-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide

C20H32ClN3O — CID 60537959

IUPACN-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCN(CCC(C)(C)C)CC1)c1ccccc1Cl
InChIInChI=1S/C20H32ClN3O/c1-16(17-7-5-6-8-18(17)21)22-19(25)15-24-13-11-23(12-14-24)10-9-20(2,3)4/h5-8,16H,9-15H2,1-4H3,(H,22,25)
InChIKeyRIDMWIJEZQMEAM-UHFFFAOYSA-N
MW365.95 g/mol
LogP3.57
Rot. Bonds6

About N-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide

N-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide (PubChem CID 60537959) has the molecular formula C20H32ClN3O and a molecular weight of 365.95 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide
PubChem CID60537959
Molecular FormulaC20H32ClN3O
Molecular Weight365.95 g/mol
Exact Mass365.22
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCN(CCC(C)(C)C)CC1)c1ccccc1Cl
InChIInChI=1S/C20H32ClN3O/c1-16(17-7-5-6-8-18(17)21)22-19(25)15-24-13-11-23(12-14-24)10-9-20(2,3)4/h5-8,16H,9-15H2,1-4H3,(H,22,25)
InChIKeyRIDMWIJEZQMEAM-UHFFFAOYSA-N
XLogP3.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.95
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894573
2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119920519
ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 46800821
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 8703505
2-[4-[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8598532
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 8590785
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 115969183
N-[1-(2,4-dichlorophenyl)ethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 55470483
N-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30625656
N-[1-(2-chlorophenyl)ethyl]-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 46672783
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 120771608
N-[1-(2-chlorophenyl)ethyl]-2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]acetamide
CID 60503652

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide (CID 60537959) is N-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide is CC(NC(=O)CN1CCN(CCC(C)(C)C)CC1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide?
The InChIKey is RIDMWIJEZQMEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32ClN3O/c1-16(17-7-5-6-8-18(17)21)22-19(25)15-24-13-11-23(12-14-24)10-9-20(2,3)4/h5-8,16H,9-15H2,1-4H3,(H,22,25).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide?
N-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide has a molecular weight of 365.95 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 60537959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).