4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide

C14H28ClN3O — CID 55204260

IUPAC4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
SMILESCC(C)C(CNC(=O)CCCCl)N1CCN(C)CC1
InChIInChI=1S/C14H28ClN3O/c1-12(2)13(11-16-14(19)5-4-6-15)18-9-7-17(3)8-10-18/h12-13H,4-11H2,1-3H3,(H,16,19)
InChIKeyJPCMDKSVGMRULR-UHFFFAOYSA-N
MW289.85 g/mol
LogP1.39
Rot. Bonds7

About 4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide

4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide (PubChem CID 55204260) has the molecular formula C14H28ClN3O and a molecular weight of 289.85 g/mol. Its IUPAC name is 4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
PubChem CID55204260
Molecular FormulaC14H28ClN3O
Molecular Weight289.85 g/mol
Exact Mass289.19
IUPAC Name4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
SMILESCC(C)C(CNC(=O)CCCCl)N1CCN(C)CC1
InChIInChI=1S/C14H28ClN3O/c1-12(2)13(11-16-14(19)5-4-6-15)18-9-7-17(3)8-10-18/h12-13H,4-11H2,1-3H3,(H,16,19)
InChIKeyJPCMDKSVGMRULR-UHFFFAOYSA-N
XLogP1.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-oxopropanoic acid
CID 55049690
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 61275431
N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 110402962
2-(butan-2-ylamino)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
CID 61240833
2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 110403103
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide
CID 60763644
3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 61276030
2-(2-aminoethoxy)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
CID 79472930
4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102904773
2-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]ethanesulfonamide
CID 107651672
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-(4-methylphenoxy)acetamide
CID 110403144
1-(1-hydroxypropan-2-yl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 110895658

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide?
The IUPAC name of 4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide (CID 55204260) is 4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide.
What is the SMILES notation for 4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide?
The canonical SMILES for 4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide is CC(C)C(CNC(=O)CCCCl)N1CCN(C)CC1.
What is the InChIKey of 4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide?
The InChIKey is JPCMDKSVGMRULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClN3O/c1-12(2)13(11-16-14(19)5-4-6-15)18-9-7-17(3)8-10-18/h12-13H,4-11H2,1-3H3,(H,16,19).
What are the key properties of 4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide?
4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide has a molecular weight of 289.85 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide is sourced from PubChem (CID 55204260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).