N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide

C18H26ClN3O2 — CID 55928827

IUPACN-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H26ClN3O2/c1-3-14(2)18(24)20-12-17(23)22-9-7-21(8-10-22)13-15-5-4-6-16(19)11-15/h4-6,11,14H,3,7-10,12-13H2,1-2H3,(H,20,24)
InChIKeySLEUUOGUTAJPRI-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.15
Rot. Bonds6

About N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide

N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide (PubChem CID 55928827) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide
PubChem CID55928827
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H26ClN3O2/c1-3-14(2)18(24)20-12-17(23)22-9-7-21(8-10-22)13-15-5-4-6-16(19)11-15/h4-6,11,14H,3,7-10,12-13H2,1-2H3,(H,20,24)
InChIKeySLEUUOGUTAJPRI-UHFFFAOYSA-N
XLogP2.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 119872748
4-chloro-N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyridine-2-carboxamide
CID 9183391
N-[(2R)-butan-2-yl]-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258777
(2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide
CID 119872740
methyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate
CID 110399100
[(2S,3S)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 9183309
1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 109002032
3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide
CID 120503600
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 119874775
(2S)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybutanamide
CID 95161190
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
3-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502539

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide?
The IUPAC name of N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide (CID 55928827) is N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide.
What is the SMILES notation for N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide?
The canonical SMILES for N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide is CCC(C)C(=O)NCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide?
The InChIKey is SLEUUOGUTAJPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-3-14(2)18(24)20-12-17(23)22-9-7-21(8-10-22)13-15-5-4-6-16(19)11-15/h4-6,11,14H,3,7-10,12-13H2,1-2H3,(H,20,24).
What are the key properties of N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide?
N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide has a molecular weight of 351.88 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide is sourced from PubChem (CID 55928827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).