molecular hydrogen;N-[2-[3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propoxy]ethyl]-1-propan-2-ylpiperidine-4-carboxamide

C22H43N3O3 — CID 176986324

IUPACmolecular hydrogen;N-[2-[3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propoxy]ethyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)C1CCN(C(=O)CCOCCNC(=O)C2CCN(C(C)C)CC2)CC1.[H][H]
InChIInChI=1S/C22H41N3O3.H2/c1-17(2)19-5-13-25(14-6-19)21(26)9-15-28-16-10-23-22(27)20-7-11-24(12-8-20)18(3)4;/h17-20H,5-16H2,1-4H3,(H,23,27);1H
InChIKeyKGPVJULRHZEKCG-UHFFFAOYSA-N
MW397.60 g/mol
LogP2.77
Rot. Bonds9

About molecular hydrogen;N-[2-[3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propoxy]ethyl]-1-propan-2-ylpiperidine-4-carboxamide

molecular hydrogen;N-[2-[3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propoxy]ethyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 176986324) has the molecular formula C22H43N3O3 and a molecular weight of 397.60 g/mol. Its IUPAC name is molecular hydrogen;N-[2-[3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propoxy]ethyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Namemolecular hydrogen;N-[2-[3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propoxy]ethyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID176986324
Molecular FormulaC22H43N3O3
Molecular Weight397.60 g/mol
Exact Mass397.33
IUPAC Namemolecular hydrogen;N-[2-[3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propoxy]ethyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)C1CCN(C(=O)CCOCCNC(=O)C2CCN(C(C)C)CC2)CC1.[H][H]
InChIInChI=1S/C22H41N3O3.H2/c1-17(2)19-5-13-25(14-6-19)21(26)9-15-28-16-10-23-22(27)20-7-11-24(12-8-20)18(3)4;/h17-20H,5-16H2,1-4H3,(H,23,27);1H
InChIKeyKGPVJULRHZEKCG-UHFFFAOYSA-N
XLogP2.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.60
LogP ≤ 52.77
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 molecular hydrogen;N-[2-[3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propoxy]ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of molecular hydrogen;N-[2-[3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propoxy]ethyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 176986324) is molecular hydrogen;N-[2-[3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propoxy]ethyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for molecular hydrogen;N-[2-[3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propoxy]ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for molecular hydrogen;N-[2-[3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propoxy]ethyl]-1-propan-2-ylpiperidine-4-carboxamide is CC(C)C1CCN(C(=O)CCOCCNC(=O)C2CCN(C(C)C)CC2)CC1.[H][H].
What is the InChIKey of molecular hydrogen;N-[2-[3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propoxy]ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is KGPVJULRHZEKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N3O3.H2/c1-17(2)19-5-13-25(14-6-19)21(26)9-15-28-16-10-23-22(27)20-7-11-24(12-8-20)18(3)4;/h17-20H,5-16H2,1-4H3,(H,23,27);1H.
What are the key properties of molecular hydrogen;N-[2-[3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propoxy]ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
molecular hydrogen;N-[2-[3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propoxy]ethyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 397.60 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-[2-[3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propoxy]ethyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 176986324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).