2-[1-(2-anilinoacetyl)piperidin-3-yl]acetamide;hydrochloride

C15H22ClN3O2 — CID 119811969

IUPAC2-[1-(2-anilinoacetyl)piperidin-3-yl]acetamide;hydrochloride
SMILESCl.NC(=O)CC1CCCN(C(=O)CNc2ccccc2)C1
InChIInChI=1S/C15H21N3O2.ClH/c16-14(19)9-12-5-4-8-18(11-12)15(20)10-17-13-6-2-1-3-7-13;/h1-3,6-7,12,17H,4-5,8-11H2,(H2,16,19);1H
InChIKeyRXJBFCFUHMNLAV-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.63
Rot. Bonds5

About 2-[1-(2-anilinoacetyl)piperidin-3-yl]acetamide;hydrochloride

2-[1-(2-anilinoacetyl)piperidin-3-yl]acetamide;hydrochloride (PubChem CID 119811969) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-[1-(2-anilinoacetyl)piperidin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[1-(2-anilinoacetyl)piperidin-3-yl]acetamide;hydrochloride
PubChem CID119811969
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-[1-(2-anilinoacetyl)piperidin-3-yl]acetamide;hydrochloride
SMILESCl.NC(=O)CC1CCCN(C(=O)CNc2ccccc2)C1
InChIInChI=1S/C15H21N3O2.ClH/c16-14(19)9-12-5-4-8-18(11-12)15(20)10-17-13-6-2-1-3-7-13;/h1-3,6-7,12,17H,4-5,8-11H2,(H2,16,19);1H
InChIKeyRXJBFCFUHMNLAV-UHFFFAOYSA-N
XLogP1.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-anilinoacetyl)piperidin-3-yl]acetamide;hydrochloride?
The IUPAC name of 2-[1-(2-anilinoacetyl)piperidin-3-yl]acetamide;hydrochloride (CID 119811969) is 2-[1-(2-anilinoacetyl)piperidin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-[1-(2-anilinoacetyl)piperidin-3-yl]acetamide;hydrochloride?
The canonical SMILES for 2-[1-(2-anilinoacetyl)piperidin-3-yl]acetamide;hydrochloride is Cl.NC(=O)CC1CCCN(C(=O)CNc2ccccc2)C1.
What is the InChIKey of 2-[1-(2-anilinoacetyl)piperidin-3-yl]acetamide;hydrochloride?
The InChIKey is RXJBFCFUHMNLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c16-14(19)9-12-5-4-8-18(11-12)15(20)10-17-13-6-2-1-3-7-13;/h1-3,6-7,12,17H,4-5,8-11H2,(H2,16,19);1H.
What are the key properties of 2-[1-(2-anilinoacetyl)piperidin-3-yl]acetamide;hydrochloride?
2-[1-(2-anilinoacetyl)piperidin-3-yl]acetamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-anilinoacetyl)piperidin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 119811969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).