N-[[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide

C17H22Cl2N4O3 — CID 166781157

IUPACN-[[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide
SMILESCC(=O)NC(=O)NCC(C)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H22Cl2N4O3/c1-11(10-20-17(26)21-12(2)24)16(25)23-5-3-22(4-6-23)15-8-13(18)7-14(19)9-15/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21,24,26)
InChIKeyPGOBXQREWMLLMW-UHFFFAOYSA-N
MW401.29 g/mol
LogP2.12
Rot. Bonds4

About N-[[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide

N-[[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide (PubChem CID 166781157) has the molecular formula C17H22Cl2N4O3 and a molecular weight of 401.29 g/mol. Its IUPAC name is N-[[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide
PubChem CID166781157
Molecular FormulaC17H22Cl2N4O3
Molecular Weight401.29 g/mol
Exact Mass400.11
IUPAC NameN-[[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide
SMILESCC(=O)NC(=O)NCC(C)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H22Cl2N4O3/c1-11(10-20-17(26)21-12(2)24)16(25)23-5-3-22(4-6-23)15-8-13(18)7-14(19)9-15/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21,24,26)
InChIKeyPGOBXQREWMLLMW-UHFFFAOYSA-N
XLogP2.12
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azetidine;N-[[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide
CID 145108881
N-[[(2S)-3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide
CID 154981349
1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-ethylpentane-1,4-dione
CID 121448950
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 79195732
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119826867
1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113080329
2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one
CID 119887328
(2S)-1-(4-acetylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)propan-1-one
CID 95286382
1-[4-(3,5-dichlorophenyl)piperazin-1-yl]pentan-1-one
CID 113080325
5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methoxyethoxymethyl)imidazolidine-2,4-dione
CID 137467905
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119704881
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107020823

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide?
The IUPAC name of N-[[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide (CID 166781157) is N-[[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide.
What is the SMILES notation for N-[[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide?
The canonical SMILES for N-[[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide is CC(=O)NC(=O)NCC(C)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of N-[[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide?
The InChIKey is PGOBXQREWMLLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N4O3/c1-11(10-20-17(26)21-12(2)24)16(25)23-5-3-22(4-6-23)15-8-13(18)7-14(19)9-15/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21,24,26).
What are the key properties of N-[[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide?
N-[[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide has a molecular weight of 401.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide is sourced from PubChem (CID 166781157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).