N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide

C23H29N3O3 — CID 119661612

IUPACN-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide
SMILESNCCCOC1CCN(C(=O)C(NC(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O3/c24-14-7-17-29-20-12-15-26(16-13-20)23(28)21(18-8-3-1-4-9-18)25-22(27)19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17,24H2,(H,25,27)
InChIKeyPBHATCOACWVMHZ-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.51
Rot. Bonds8

About N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide

N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide (PubChem CID 119661612) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide
PubChem CID119661612
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide
SMILESNCCCOC1CCN(C(=O)C(NC(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O3/c24-14-7-17-29-20-12-15-26(16-13-20)23(28)21(18-8-3-1-4-9-18)25-22(27)19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17,24H2,(H,25,27)
InChIKeyPBHATCOACWVMHZ-UHFFFAOYSA-N
XLogP2.51
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide 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
N-[2-(4-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 55520388
N-[2-(4-aminopiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 119372896
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119664374
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone
CID 119663844
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
CID 119663039
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 119662801
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide
CID 119662177
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 119662392
phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79736999
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 119662698
1-[1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-benzylurea;hydrochloride
CID 119663275

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide?
The IUPAC name of N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide (CID 119661612) is N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide.
What is the SMILES notation for N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide?
The canonical SMILES for N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide is NCCCOC1CCN(C(=O)C(NC(=O)c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide?
The InChIKey is PBHATCOACWVMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c24-14-7-17-29-20-12-15-26(16-13-20)23(28)21(18-8-3-1-4-9-18)25-22(27)19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17,24H2,(H,25,27).
What are the key properties of N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide?
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide has a molecular weight of 395.50 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide is sourced from PubChem (CID 119661612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).