N-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide

C16H24ClN3O — CID 107163743

IUPACN-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
SMILESCN1CCC(C)(CNCC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O/c1-16(6-8-20(2)9-7-16)12-18-11-15(21)19-14-5-3-4-13(17)10-14/h3-5,10,18H,6-9,11-12H2,1-2H3,(H,19,21)
InChIKeySCFLBTYMMIBOIP-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.60
Rot. Bonds5

About N-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide

N-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide (PubChem CID 107163743) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
PubChem CID107163743
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
SMILESCN1CCC(C)(CNCC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O/c1-16(6-8-20(2)9-7-16)12-18-11-15(21)19-14-5-3-4-13(17)10-14/h3-5,10,18H,6-9,11-12H2,1-2H3,(H,19,21)
InChIKeySCFLBTYMMIBOIP-UHFFFAOYSA-N
XLogP2.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
CID 107163619
N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944416
N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 55023239
N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61168620
N-(3-chlorophenyl)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 115745385
N-(3-chlorophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115304932
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
N-(3-chlorophenyl)-2-[(5-ethylthiophen-2-yl)methylamino]acetamide
CID 106011028
N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide
CID 103820258
N-(3-chlorophenyl)-3-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 91839342

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide (CID 107163743) is N-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide is CN1CCC(C)(CNCC(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide?
The InChIKey is SCFLBTYMMIBOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-16(6-8-20(2)9-7-16)12-18-11-15(21)19-14-5-3-4-13(17)10-14/h3-5,10,18H,6-9,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide?
N-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide has a molecular weight of 309.84 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide is sourced from PubChem (CID 107163743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).