N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide

C17H24ClN3O2 — CID 32665716

IUPACN-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide
SMILESCC[C@@H](C)NC(=O)CN1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-3-13(2)19-16(22)12-20-7-9-21(10-8-20)17(23)14-5-4-6-15(18)11-14/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeyYOLDIBSAYUXFOY-CYBMUJFWSA-N
MW337.85 g/mol
LogP2.01
Rot. Bonds5

About N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide

N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide (PubChem CID 32665716) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide
PubChem CID32665716
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide
SMILESCC[C@@H](C)NC(=O)CN1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-3-13(2)19-16(22)12-20-7-9-21(10-8-20)17(23)14-5-4-6-15(18)11-14/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeyYOLDIBSAYUXFOY-CYBMUJFWSA-N
XLogP2.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide
CID 134043760
N-[(2R)-butan-2-yl]-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258777
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156810
2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide
CID 18082973
2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
CID 60585100
N-butan-2-yl-2-[4-(2,4-dichloro-6-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 146091593
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 55544316
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 99184957
N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide
CID 55564403
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 134043822
(3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 873489
N-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 55885110

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide (CID 32665716) is N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide is CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is YOLDIBSAYUXFOY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-3-13(2)19-16(22)12-20-7-9-21(10-8-20)17(23)14-5-4-6-15(18)11-14/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,22)/t13-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide?
N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 337.85 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 32665716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).