N-[3-[2-(1-aminoethyl)piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]acetamide;hydrochloride

C18H27Cl2N3O2 — CID 119436675

IUPACN-[3-[2-(1-aminoethyl)piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]acetamide;hydrochloride
SMILESCC(=O)NC(CC(=O)N1CCCCC1C(C)N)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C18H26ClN3O2.ClH/c1-12(20)17-5-3-4-10-22(17)18(24)11-16(21-13(2)23)14-6-8-15(19)9-7-14;/h6-9,12,16-17H,3-5,10-11,20H2,1-2H3,(H,21,23);1H
InChIKeyVSRRGMZVUGKOAV-UHFFFAOYSA-N
MW388.34 g/mol
LogP3.06
Rot. Bonds5

About N-[3-[2-(1-aminoethyl)piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]acetamide;hydrochloride

N-[3-[2-(1-aminoethyl)piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]acetamide;hydrochloride (PubChem CID 119436675) has the molecular formula C18H27Cl2N3O2 and a molecular weight of 388.34 g/mol. Its IUPAC name is N-[3-[2-(1-aminoethyl)piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-(1-aminoethyl)piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]acetamide;hydrochloride
PubChem CID119436675
Molecular FormulaC18H27Cl2N3O2
Molecular Weight388.34 g/mol
Exact Mass387.15
IUPAC NameN-[3-[2-(1-aminoethyl)piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]acetamide;hydrochloride
SMILESCC(=O)NC(CC(=O)N1CCCCC1C(C)N)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C18H26ClN3O2.ClH/c1-12(20)17-5-3-4-10-22(17)18(24)11-16(21-13(2)23)14-6-8-15(19)9-7-14;/h6-9,12,16-17H,3-5,10-11,20H2,1-2H3,(H,21,23);1H
InChIKeyVSRRGMZVUGKOAV-UHFFFAOYSA-N
XLogP3.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[3-acetamido-3-(4-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365109
[1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)-3-oxopropyl]urea
CID 42994936
N-[1-(4-chlorophenyl)-3-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 49048926
N-[3-(2-benzylpyrrolidin-1-yl)-1-(4-chlorophenyl)-3-oxopropyl]acetamide
CID 51338064
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(4-chlorophenyl)butane-1,4-dione
CID 119436666
N-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 119437270
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 119434426
N-[1-(4-chlorophenyl)-3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride
CID 119545597
N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide
CID 119491794
3-[(2R)-1-[(3S)-3-acetamido-3-(4-methylphenyl)propanoyl]piperidin-2-yl]propanoic acid
CID 124682062
N-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 119632606
N-[1-[2-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide
CID 119437390

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1-aminoethyl)piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]acetamide;hydrochloride?
The IUPAC name of N-[3-[2-(1-aminoethyl)piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]acetamide;hydrochloride (CID 119436675) is N-[3-[2-(1-aminoethyl)piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-[2-(1-aminoethyl)piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]acetamide;hydrochloride?
The canonical SMILES for N-[3-[2-(1-aminoethyl)piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]acetamide;hydrochloride is CC(=O)NC(CC(=O)N1CCCCC1C(C)N)c1ccc(Cl)cc1.Cl.
What is the InChIKey of N-[3-[2-(1-aminoethyl)piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]acetamide;hydrochloride?
The InChIKey is VSRRGMZVUGKOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2.ClH/c1-12(20)17-5-3-4-10-22(17)18(24)11-16(21-13(2)23)14-6-8-15(19)9-7-14;/h6-9,12,16-17H,3-5,10-11,20H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[3-[2-(1-aminoethyl)piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]acetamide;hydrochloride?
N-[3-[2-(1-aminoethyl)piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]acetamide;hydrochloride has a molecular weight of 388.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1-aminoethyl)piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]acetamide;hydrochloride is sourced from PubChem (CID 119436675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).