2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide

C16H24ClN3O — CID 61251743

IUPAC2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
SMILESCN1CCN(CCCNC(=O)C(Cl)c2ccccc2)CC1
InChIInChI=1S/C16H24ClN3O/c1-19-10-12-20(13-11-19)9-5-8-18-16(21)15(17)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,18,21)
InChIKeyDLAYHQAUVOKJMH-UHFFFAOYSA-N
MW309.84 g/mol
LogP1.72
Rot. Bonds6

About 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide

2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide (PubChem CID 61251743) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
PubChem CID61251743
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
SMILESCN1CCN(CCCNC(=O)C(Cl)c2ccccc2)CC1
InChIInChI=1S/C16H24ClN3O/c1-19-10-12-20(13-11-19)9-5-8-18-16(21)15(17)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,18,21)
InChIKeyDLAYHQAUVOKJMH-UHFFFAOYSA-N
XLogP1.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride
CID 119901081
2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241452
2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
CID 4133404
1-[4-(4-methylpiperazin-1-yl)butyl]-3-[(1R)-1-phenylethyl]urea
CID 94813321
2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 61249597
2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 43243129
(2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 94040489
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172658398
3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391045
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide
CID 61251452
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
2-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-phenylacetamide;dihydrochloride
CID 119851308

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide (CID 61251743) is 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide is CN1CCN(CCCNC(=O)C(Cl)c2ccccc2)CC1.
What is the InChIKey of 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide?
The InChIKey is DLAYHQAUVOKJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-19-10-12-20(13-11-19)9-5-8-18-16(21)15(17)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,18,21).
What are the key properties of 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide?
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide has a molecular weight of 309.84 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide is sourced from PubChem (CID 61251743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).