1-[4-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one;hydrochloride

C19H28ClN3O2 — CID 119595857

About 1-[4-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one;hydrochloride

1-[4-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one;hydrochloride (PubChem CID 119595857) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 1-[4-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

• Compound Name: 1-[4-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one;hydrochloride
• PubChem CID: 119595857
• Molecular Formula: C19H28ClN3O2
• Molecular Weight: 365.91 g/mol
• Exact Mass: 365.19
• IUPAC Name: 1-[4-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one;hydrochloride
• SMILES: CC(N)C1CCCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)C1.Cl
• InChI: InChI=1S/C19H27N3O2.ClH/c1-14(20)16-4-2-10-21(13-16)19(24)12-15-6-8-17(9-7-15)22-11-3-5-18(22)23;/h6-9,14,16H,2-5,10-13,20H2,1H3;1H
• InChIKey: FLVFCBVWMRXWAC-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 66.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.91
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one;hydrochloride?

The IUPAC name of 1-[4-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one;hydrochloride (CID 119595857) is 1-[4-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one;hydrochloride.

What is the SMILES notation for 1-[4-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one;hydrochloride?

The canonical SMILES for 1-[4-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one;hydrochloride is CC(N)C1CCCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)C1.Cl.

What is the InChIKey of 1-[4-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one;hydrochloride?

The InChIKey is FLVFCBVWMRXWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c1-14(20)16-4-2-10-21(13-16)19(24)12-15-6-8-17(9-7-15)22-11-3-5-18(22)23;/h6-9,14,16H,2-5,10-13,20H2,1H3;1H.

What are the key properties of 1-[4-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one;hydrochloride?

1-[4-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119595857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).