2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride

C16H32ClN3O — CID 119925682

IUPAC2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride
SMILESCC(N)C1CCCN(CC(=O)NC2CCCCCC2)C1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-13(17)14-7-6-10-19(11-14)12-16(20)18-15-8-4-2-3-5-9-15;/h13-15H,2-12,17H2,1H3,(H,18,20);1H
InChIKeyZOQXMPWGOMZIAJ-UHFFFAOYSA-N
MW317.91 g/mol
LogP2.31
Rot. Bonds4

About 2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride

2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride (PubChem CID 119925682) has the molecular formula C16H32ClN3O and a molecular weight of 317.91 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride
PubChem CID119925682
Molecular FormulaC16H32ClN3O
Molecular Weight317.91 g/mol
Exact Mass317.22
IUPAC Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride
SMILESCC(N)C1CCCN(CC(=O)NC2CCCCCC2)C1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-13(17)14-7-6-10-19(11-14)12-16(20)18-15-8-4-2-3-5-9-15;/h13-15H,2-12,17H2,1H3,(H,18,20);1H
InChIKeyZOQXMPWGOMZIAJ-UHFFFAOYSA-N
XLogP2.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.91
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride
CID 119925750
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 119925640
N-cyclooctyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918786
N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628204
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 63845041
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride
CID 119925446
N-cyclopropyl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63854794
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide
CID 63846958
N-cyclohexyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107225773
2-(3-acetylpiperidin-1-yl)-N-cyclohexylacetamide
CID 55256614
2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopentylacetamide;hydrochloride
CID 119915633
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
CID 119876862

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride?
The IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride (CID 119925682) is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride.
What is the SMILES notation for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride?
The canonical SMILES for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride is CC(N)C1CCCN(CC(=O)NC2CCCCCC2)C1.Cl.
What is the InChIKey of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride?
The InChIKey is ZOQXMPWGOMZIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.ClH/c1-13(17)14-7-6-10-19(11-14)12-16(20)18-15-8-4-2-3-5-9-15;/h13-15H,2-12,17H2,1H3,(H,18,20);1H.
What are the key properties of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride?
2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride has a molecular weight of 317.91 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride is sourced from PubChem (CID 119925682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).