N-propan-2-ylpiperidine-4-carboxamide;hydrochloride

C9H19ClN2O — CID 47002764

IUPACN-propan-2-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(C)NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-7(2)11-9(12)8-3-5-10-6-4-8;/h7-8,10H,3-6H2,1-2H3,(H,11,12);1H
InChIKeyTZMIDCAHTKMRGT-UHFFFAOYSA-N
MW206.72 g/mol
LogP0.93
Rot. Bonds2

About N-propan-2-ylpiperidine-4-carboxamide;hydrochloride

N-propan-2-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 47002764) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is N-propan-2-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-propan-2-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID47002764
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC NameN-propan-2-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(C)NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-7(2)11-9(12)8-3-5-10-6-4-8;/h7-8,10H,3-6H2,1-2H3,(H,11,12);1H
InChIKeyTZMIDCAHTKMRGT-UHFFFAOYSA-N
XLogP0.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-propan-2-ylpiperidine-4-carboxamide;hydrochloride (CID 47002764) is N-propan-2-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-propan-2-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-propan-2-ylpiperidine-4-carboxamide;hydrochloride is CC(C)NC(=O)C1CCNCC1.Cl.
What is the InChIKey of N-propan-2-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is TZMIDCAHTKMRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-7(2)11-9(12)8-3-5-10-6-4-8;/h7-8,10H,3-6H2,1-2H3,(H,11,12);1H.
What are the key properties of N-propan-2-ylpiperidine-4-carboxamide;hydrochloride?
N-propan-2-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 47002764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).