1-pentylpiperidin-1-ium-4-carboxamide

C11H23N2O+ — CID 86308802

IUPAC1-pentylpiperidin-1-ium-4-carboxamide
SMILESCCCCC[NH+]1CCC(C(N)=O)CC1
InChIInChI=1S/C11H22N2O/c1-2-3-4-7-13-8-5-10(6-9-13)11(12)14/h10H,2-9H2,1H3,(H2,12,14)/p+1
InChIKeyNXCOFHJBIIKZQQ-UHFFFAOYSA-O
MW199.32 g/mol
LogP-0.04
Rot. Bonds5

About 1-pentylpiperidin-1-ium-4-carboxamide

1-pentylpiperidin-1-ium-4-carboxamide (PubChem CID 86308802) has the molecular formula C11H23N2O+ and a molecular weight of 199.32 g/mol. Its IUPAC name is 1-pentylpiperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-pentylpiperidin-1-ium-4-carboxamide
PubChem CID86308802
Molecular FormulaC11H23N2O+
Molecular Weight199.32 g/mol
Exact Mass199.18
IUPAC Name1-pentylpiperidin-1-ium-4-carboxamide
SMILESCCCCC[NH+]1CCC(C(N)=O)CC1
InChIInChI=1S/C11H22N2O/c1-2-3-4-7-13-8-5-10(6-9-13)11(12)14/h10H,2-9H2,1H3,(H2,12,14)/p+1
InChIKeyNXCOFHJBIIKZQQ-UHFFFAOYSA-O
XLogP-0.04
TPSA47.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-octyl-4-propylpiperidin-1-ium acetate
CID 171569689
1-heptyl-4-propylpiperidin-1-ium acetate
CID 171571623
4-methyl-1-undecylpiperidin-1-ium chloride
CID 171569637
1-heptyl-4-methylpiperidin-1-ium fluoride
CID 171570371
1-dodecyl-4-methylpiperidin-1-ium fluoride
CID 171570519
4-butyl-1-nonylpiperidin-1-ium chloride
CID 171570141
1-octadecylpiperidine-4-carboxamide
CID 4134920
cyclopropanecarboxamide;propanamide
CID 174752815
1-decylpyrrolidin-1-ium acetate
CID 171569626
1-dodecyl-4-methylpiperidin-1-ium;methanesulfonate
CID 171571198
3-ethyl-1-undecylpyrrolidin-1-ium acetate
CID 171571276
3-butyl-1-undecylpyrrolidin-1-ium acetate
CID 171570222

Frequently Asked Questions

What is the IUPAC name of 1-pentylpiperidin-1-ium-4-carboxamide?
The IUPAC name of 1-pentylpiperidin-1-ium-4-carboxamide (CID 86308802) is 1-pentylpiperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-pentylpiperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-pentylpiperidin-1-ium-4-carboxamide is CCCCC[NH+]1CCC(C(N)=O)CC1.
What is the InChIKey of 1-pentylpiperidin-1-ium-4-carboxamide?
The InChIKey is NXCOFHJBIIKZQQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H22N2O/c1-2-3-4-7-13-8-5-10(6-9-13)11(12)14/h10H,2-9H2,1H3,(H2,12,14)/p+1.
What are the key properties of 1-pentylpiperidin-1-ium-4-carboxamide?
1-pentylpiperidin-1-ium-4-carboxamide has a molecular weight of 199.32 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylpiperidin-1-ium-4-carboxamide is sourced from PubChem (CID 86308802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).