N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride

C21H28ClN3O2 — CID 119519046

IUPACN-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
SMILESCC(N)C1CCN(C(=O)CNC(=O)Cc2cccc3ccccc23)CC1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-15(22)16-9-11-24(12-10-16)21(26)14-23-20(25)13-18-7-4-6-17-5-2-3-8-19(17)18;/h2-8,15-16H,9-14,22H2,1H3,(H,23,25);1H
InChIKeyVVAQZHJFPUHBOA-UHFFFAOYSA-N
MW389.93 g/mol
LogP2.51
Rot. Bonds5

About N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride

N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride (PubChem CID 119519046) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
PubChem CID119519046
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC NameN-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
SMILESCC(N)C1CCN(C(=O)CNC(=O)Cc2cccc3ccccc23)CC1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-15(22)16-9-11-24(12-10-16)21(26)14-23-20(25)13-18-7-4-6-17-5-2-3-8-19(17)18;/h2-8,15-16H,9-14,22H2,1H3,(H,23,25);1H
InChIKeyVVAQZHJFPUHBOA-UHFFFAOYSA-N
XLogP2.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7964073
N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7964463
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119379657
N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119490921
N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55495315
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 119516744
N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119517632
N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119497414
N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119593240
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119520156
(2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119371080
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one;hydrochloride
CID 119520075

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride?
The IUPAC name of N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride (CID 119519046) is N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride is CC(N)C1CCN(C(=O)CNC(=O)Cc2cccc3ccccc23)CC1.Cl.
What is the InChIKey of N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride?
The InChIKey is VVAQZHJFPUHBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.ClH/c1-15(22)16-9-11-24(12-10-16)21(26)14-23-20(25)13-18-7-4-6-17-5-2-3-8-19(17)18;/h2-8,15-16H,9-14,22H2,1H3,(H,23,25);1H.
What are the key properties of N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride?
N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride is sourced from PubChem (CID 119519046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).