N-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide

C16H24ClN3O — CID 43690136

IUPACN-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)C2CCCN(C)C2)cc1Cl
InChIInChI=1S/C16H24ClN3O/c1-11(13-5-4-8-20(3)10-13)18-14-6-7-16(15(17)9-14)19-12(2)21/h6-7,9,11,13,18H,4-5,8,10H2,1-3H3,(H,19,21)
InChIKeyGRGZMHRAVFPAST-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.44
Rot. Bonds4

About N-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide

N-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide (PubChem CID 43690136) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide
PubChem CID43690136
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)C2CCCN(C)C2)cc1Cl
InChIInChI=1S/C16H24ClN3O/c1-11(13-5-4-8-20(3)10-13)18-14-6-7-16(15(17)9-14)19-12(2)21/h6-7,9,11,13,18H,4-5,8,10H2,1-3H3,(H,19,21)
InChIKeyGRGZMHRAVFPAST-UHFFFAOYSA-N
XLogP3.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide
CID 43690232
2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308733
2-chloro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
CID 43686795
2-fluoro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzamide
CID 43705145
2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
CID 64795007
4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308680
2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 81263405
3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43307884
N-[1-(1-methylpiperidin-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43307584
2-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-(trifluoromethyl)aniline
CID 43307432
4-(difluoromethoxy)-3-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 60943233
N-[3-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]acetamide
CID 43307791

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide (CID 43690136) is N-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(C)C2CCCN(C)C2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide?
The InChIKey is GRGZMHRAVFPAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-11(13-5-4-8-20(3)10-13)18-14-6-7-16(15(17)9-14)19-12(2)21/h6-7,9,11,13,18H,4-5,8,10H2,1-3H3,(H,19,21).
What are the key properties of N-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide?
N-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide has a molecular weight of 309.84 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide is sourced from PubChem (CID 43690136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).