N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride

C11H23ClN2O — CID 47002640

IUPACN-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
SMILESCCCC(C)NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-3-5-9(2)13-11(14)10-6-4-7-12-8-10;/h9-10,12H,3-8H2,1-2H3,(H,13,14);1H
InChIKeyRSZBGPFFVMENPL-UHFFFAOYSA-N
MW234.77 g/mol
LogP1.71
Rot. Bonds4

About N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride

N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride (PubChem CID 47002640) has the molecular formula C11H23ClN2O and a molecular weight of 234.77 g/mol. Its IUPAC name is N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
PubChem CID47002640
Molecular FormulaC11H23ClN2O
Molecular Weight234.77 g/mol
Exact Mass234.15
IUPAC NameN-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
SMILESCCCC(C)NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-3-5-9(2)13-11(14)10-6-4-7-12-8-10;/h9-10,12H,3-8H2,1-2H3,(H,13,14);1H
InChIKeyRSZBGPFFVMENPL-UHFFFAOYSA-N
XLogP1.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride (CID 47002640) is N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride is CCCC(C)NC(=O)C1CCCNC1.Cl.
What is the InChIKey of N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is RSZBGPFFVMENPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.ClH/c1-3-5-9(2)13-11(14)10-6-4-7-12-8-10;/h9-10,12H,3-8H2,1-2H3,(H,13,14);1H.
What are the key properties of N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 234.77 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 47002640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).