N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane

C15H32N2O — CID 169158864

IUPACN-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
SMILESCC.CCCCNC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O.C2H6/c1-4-5-8-14-13(16)12-6-9-15(10-7-12)11(2)3;1-2/h11-12H,4-10H2,1-3H3,(H,14,16);1-2H3
InChIKeyHPBSGDRRCIGYKV-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.05
Rot. Bonds5

About N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane

N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane (PubChem CID 169158864) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane.

Molecular Properties

Compound NameN-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
PubChem CID169158864
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
SMILESCC.CCCCNC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O.C2H6/c1-4-5-8-14-13(16)12-6-9-15(10-7-12)11(2)3;1-2/h11-12H,4-10H2,1-3H3,(H,14,16);1-2H3
InChIKeyHPBSGDRRCIGYKV-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-oxopropyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 176985907
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
N-butyl-1-formylpiperidine-4-carboxamide
CID 64992513
1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide
CID 60963510
N-[2-(methylsulfamoyl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 131909816
1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide
CID 61163601
N-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 95158904
N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3283449
1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide
CID 60963512
1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride
CID 119723977
N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 166944629
1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide
CID 79813591

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane?
The IUPAC name of N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane (CID 169158864) is N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane.
What is the SMILES notation for N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane?
The canonical SMILES for N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane is CC.CCCCNC(=O)C1CCN(C(C)C)CC1.
What is the InChIKey of N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane?
The InChIKey is HPBSGDRRCIGYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.C2H6/c1-4-5-8-14-13(16)12-6-9-15(10-7-12)11(2)3;1-2/h11-12H,4-10H2,1-3H3,(H,14,16);1-2H3.
What are the key properties of N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane?
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane has a molecular weight of 256.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane is sourced from PubChem (CID 169158864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).