5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one

C21H31N3O3 — CID 119663142

IUPAC5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one
SMILESCN1C(=O)CCC(C(=O)N2CCC(OCCCN)CC2)C1c1ccccc1
InChIInChI=1S/C21H31N3O3/c1-23-19(25)9-8-18(20(23)16-6-3-2-4-7-16)21(26)24-13-10-17(11-14-24)27-15-5-12-22/h2-4,6-7,17-18,20H,5,8-15,22H2,1H3
InChIKeyORSPAJHWIAYWQW-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.95
Rot. Bonds6

About 5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one

5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one (PubChem CID 119663142) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one.

Molecular Properties

Compound Name5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one
PubChem CID119663142
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one
SMILESCN1C(=O)CCC(C(=O)N2CCC(OCCCN)CC2)C1c1ccccc1
InChIInChI=1S/C21H31N3O3/c1-23-19(25)9-8-18(20(23)16-6-3-2-4-7-16)21(26)24-13-10-17(11-14-24)27-15-5-12-22/h2-4,6-7,17-18,20H,5,8-15,22H2,1H3
InChIKeyORSPAJHWIAYWQW-UHFFFAOYSA-N
XLogP1.95
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one?
The IUPAC name of 5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one (CID 119663142) is 5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one.
What is the SMILES notation for 5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one?
The canonical SMILES for 5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one is CN1C(=O)CCC(C(=O)N2CCC(OCCCN)CC2)C1c1ccccc1.
What is the InChIKey of 5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one?
The InChIKey is ORSPAJHWIAYWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-23-19(25)9-8-18(20(23)16-6-3-2-4-7-16)21(26)24-13-10-17(11-14-24)27-15-5-12-22/h2-4,6-7,17-18,20H,5,8-15,22H2,1H3.
What are the key properties of 5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one?
5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one has a molecular weight of 373.50 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one is sourced from PubChem (CID 119663142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).