N-(3-oxopropyl)-1-propan-2-ylpiperidine-4-carboxamide

C12H22N2O2 — CID 176985907

IUPACN-(3-oxopropyl)-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)NCCC=O)CC1
InChIInChI=1S/C12H22N2O2/c1-10(2)14-7-4-11(5-8-14)12(16)13-6-3-9-15/h9-11H,3-8H2,1-2H3,(H,13,16)
InChIKeySRQLAHYHAIMNEU-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.81
Rot. Bonds5

About N-(3-oxopropyl)-1-propan-2-ylpiperidine-4-carboxamide

N-(3-oxopropyl)-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 176985907) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(3-oxopropyl)-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-oxopropyl)-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID176985907
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(3-oxopropyl)-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)NCCC=O)CC1
InChIInChI=1S/C12H22N2O2/c1-10(2)14-7-4-11(5-8-14)12(16)13-6-3-9-15/h9-11H,3-8H2,1-2H3,(H,13,16)
InChIKeySRQLAHYHAIMNEU-UHFFFAOYSA-N
XLogP0.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864
N-[2-(methylsulfamoyl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 131909816
ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177135939
N-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide
CID 167004447
N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide
CID 155453359
3-(1-propan-2-ylpiperidin-4-yl)propanal
CID 83906803
N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236585
molecular hydrogen;N-[2-[3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propoxy]ethyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 176986324
4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 113466075
N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 95142240
N-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
CID 113219499
1-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 72863721

Frequently Asked Questions

What is the IUPAC name of N-(3-oxopropyl)-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(3-oxopropyl)-1-propan-2-ylpiperidine-4-carboxamide (CID 176985907) is N-(3-oxopropyl)-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-oxopropyl)-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-oxopropyl)-1-propan-2-ylpiperidine-4-carboxamide is CC(C)N1CCC(C(=O)NCCC=O)CC1.
What is the InChIKey of N-(3-oxopropyl)-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is SRQLAHYHAIMNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(2)14-7-4-11(5-8-14)12(16)13-6-3-9-15/h9-11H,3-8H2,1-2H3,(H,13,16).
What are the key properties of N-(3-oxopropyl)-1-propan-2-ylpiperidine-4-carboxamide?
N-(3-oxopropyl)-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxopropyl)-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 176985907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).