N-butyl-1-formylpiperidine-4-carboxamide

C11H20N2O2 — CID 64992513

IUPACN-butyl-1-formylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C=O)CC1
InChIInChI=1S/C11H20N2O2/c1-2-3-6-12-11(15)10-4-7-13(9-14)8-5-10/h9-10H,2-8H2,1H3,(H,12,15)
InChIKeyYAQLFKHSSMSGQY-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.77
Rot. Bonds5

About N-butyl-1-formylpiperidine-4-carboxamide

N-butyl-1-formylpiperidine-4-carboxamide (PubChem CID 64992513) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-butyl-1-formylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-formylpiperidine-4-carboxamide
PubChem CID64992513
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-butyl-1-formylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C=O)CC1
InChIInChI=1S/C11H20N2O2/c1-2-3-6-12-11(15)10-4-7-13(9-14)8-5-10/h9-10H,2-8H2,1H3,(H,12,15)
InChIKeyYAQLFKHSSMSGQY-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
(E)-4-[4-(butylcarbamoyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 60948862
N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 3067803
N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3283449
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide
CID 79813591
1-butyl-N-propylpiperidine-4-carboxamide
CID 155706109
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152559
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
N-(2-butoxyethyl)-1-ethylpiperidine-4-carboxamide
CID 176985091

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-formylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-formylpiperidine-4-carboxamide (CID 64992513) is N-butyl-1-formylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-formylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-formylpiperidine-4-carboxamide is CCCCNC(=O)C1CCN(C=O)CC1.
What is the InChIKey of N-butyl-1-formylpiperidine-4-carboxamide?
The InChIKey is YAQLFKHSSMSGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-3-6-12-11(15)10-4-7-13(9-14)8-5-10/h9-10H,2-8H2,1H3,(H,12,15).
What are the key properties of N-butyl-1-formylpiperidine-4-carboxamide?
N-butyl-1-formylpiperidine-4-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-formylpiperidine-4-carboxamide is sourced from PubChem (CID 64992513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).