1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride

C21H32ClN3O3 — CID 119663039

IUPAC1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)C(c2ccccc2)N2CCCCC2=O)CC1
InChIInChI=1S/C21H31N3O3.ClH/c22-12-6-16-27-18-10-14-23(15-11-18)21(26)20(17-7-2-1-3-8-17)24-13-5-4-9-19(24)25;/h1-3,7-8,18,20H,4-6,9-16,22H2;1H
InChIKeyVGPNPUUWNGOKOU-UHFFFAOYSA-N
MW409.96 g/mol
LogP2.52
Rot. Bonds7

About 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride

1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride (PubChem CID 119663039) has the molecular formula C21H32ClN3O3 and a molecular weight of 409.96 g/mol. Its IUPAC name is 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
PubChem CID119663039
Molecular FormulaC21H32ClN3O3
Molecular Weight409.96 g/mol
Exact Mass409.21
IUPAC Name1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)C(c2ccccc2)N2CCCCC2=O)CC1
InChIInChI=1S/C21H31N3O3.ClH/c22-12-6-16-27-18-10-14-23(15-11-18)21(26)20(17-7-2-1-3-8-17)24-13-5-4-9-19(24)25;/h1-3,7-8,18,20H,4-6,9-16,22H2;1H
InChIKeyVGPNPUUWNGOKOU-UHFFFAOYSA-N
XLogP2.52
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone
CID 119663605
1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
CID 119623436
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide
CID 119661612
1-[2-(3-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one
CID 75420204
N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride
CID 119406812
(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638802
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone
CID 119663844
1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 120742427
1-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504647
phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79736999
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-benzylsulfanyl-3-methylbutan-1-one;hydrochloride
CID 119663139
1-[2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56577971

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride?
The IUPAC name of 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride (CID 119663039) is 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride.
What is the SMILES notation for 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride?
The canonical SMILES for 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride is Cl.NCCCOC1CCN(C(=O)C(c2ccccc2)N2CCCCC2=O)CC1.
What is the InChIKey of 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride?
The InChIKey is VGPNPUUWNGOKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3.ClH/c22-12-6-16-27-18-10-14-23(15-11-18)21(26)20(17-7-2-1-3-8-17)24-13-5-4-9-19(24)25;/h1-3,7-8,18,20H,4-6,9-16,22H2;1H.
What are the key properties of 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride?
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride has a molecular weight of 409.96 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride is sourced from PubChem (CID 119663039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).