6-amino-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]hexanamide

C21H33N3O2 — CID 3951610

IUPAC6-amino-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]hexanamide
SMILESCC1CCN(C(=O)C(Cc2ccccc2)NC(=O)CCCCCN)CC1
InChIInChI=1S/C21H33N3O2/c1-17-11-14-24(15-12-17)21(26)19(16-18-8-4-2-5-9-18)23-20(25)10-6-3-7-13-22/h2,4-5,8-9,17,19H,3,6-7,10-16,22H2,1H3,(H,23,25)
InChIKeyKPFRPHCWMWFUEP-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.49
Rot. Bonds9

About 6-amino-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]hexanamide

6-amino-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]hexanamide (PubChem CID 3951610) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 6-amino-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]hexanamide
PubChem CID3951610
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name6-amino-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]hexanamide
SMILESCC1CCN(C(=O)C(Cc2ccccc2)NC(=O)CCCCCN)CC1
InChIInChI=1S/C21H33N3O2/c1-17-11-14-24(15-12-17)21(26)19(16-18-8-4-2-5-9-18)23-20(25)10-6-3-7-13-22/h2,4-5,8-9,17,19H,3,6-7,10-16,22H2,1H3,(H,23,25)
InChIKeyKPFRPHCWMWFUEP-UHFFFAOYSA-N
XLogP2.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-amino-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]hexanamide?
The IUPAC name of 6-amino-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]hexanamide (CID 3951610) is 6-amino-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]hexanamide.
What is the SMILES notation for 6-amino-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]hexanamide?
The canonical SMILES for 6-amino-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]hexanamide is CC1CCN(C(=O)C(Cc2ccccc2)NC(=O)CCCCCN)CC1.
What is the InChIKey of 6-amino-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]hexanamide?
The InChIKey is KPFRPHCWMWFUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-17-11-14-24(15-12-17)21(26)19(16-18-8-4-2-5-9-18)23-20(25)10-6-3-7-13-22/h2,4-5,8-9,17,19H,3,6-7,10-16,22H2,1H3,(H,23,25).
What are the key properties of 6-amino-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]hexanamide?
6-amino-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]hexanamide has a molecular weight of 359.51 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]hexanamide is sourced from PubChem (CID 3951610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).