2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride

C15H24ClN3O2 — CID 119910163

IUPAC2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride
SMILESCl.NC1CCCN(CC(=O)NCCOc2ccccc2)C1
InChIInChI=1S/C15H23N3O2.ClH/c16-13-5-4-9-18(11-13)12-15(19)17-8-10-20-14-6-2-1-3-7-14;/h1-3,6-7,13H,4-5,8-12,16H2,(H,17,19);1H
InChIKeyRNFPZPVJADQFCP-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.03
Rot. Bonds6

About 2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride

2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride (PubChem CID 119910163) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride
PubChem CID119910163
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride
SMILESCl.NC1CCCN(CC(=O)NCCOc2ccccc2)C1
InChIInChI=1S/C15H23N3O2.ClH/c16-13-5-4-9-18(11-13)12-15(19)17-8-10-20-14-6-2-1-3-7-14;/h1-3,6-7,13H,4-5,8-12,16H2,(H,17,19);1H
InChIKeyRNFPZPVJADQFCP-UHFFFAOYSA-N
XLogP1.03
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119905333
1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63030488
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119922080
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 81493988
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 120663762
2-(3-aminopiperidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 61295530
2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 17437438
(3R)-1-(3-phenoxypropyl)piperidin-3-amine
CID 102977310
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 119926119
2-[3-(hydroxymethyl)piperidin-1-yl]-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 111750150
N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide
CID 61295576
2-(cyclopropylmethylamino)-N-(3-phenoxypropyl)acetamide
CID 62380963

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride (CID 119910163) is 2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride is Cl.NC1CCCN(CC(=O)NCCOc2ccccc2)C1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride?
The InChIKey is RNFPZPVJADQFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c16-13-5-4-9-18(11-13)12-15(19)17-8-10-20-14-6-2-1-3-7-14;/h1-3,6-7,13H,4-5,8-12,16H2,(H,17,19);1H.
What are the key properties of 2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride?
2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride is sourced from PubChem (CID 119910163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).