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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Related Compounds

N-[2-[2-[2-oxo-2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ide-4-carboxamide;vanadium
CID 176983595
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864
1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone
CID 177123002
ethane;N-[2-[2-[2-[3-(4-methoxypiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethyl]propanamide
CID 171833589
N-(3-oxopropyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 176985907
1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61059999
N-(2-butoxyethyl)-1-ethylpiperidine-4-carboxamide
CID 176985091
ethane;1-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]piperidine-4-carboxamide
CID 177054985
ethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 156820072
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
N-[2-(methylsulfamoyl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 131909816
N-(5-methyl-6-oxoheptyl)-1-(4-methyl-5-oxohexanoyl)piperidine-4-carboxamide
CID 157341024

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).