1-propylpiperidine-2-carboxamide;hydrate;hydrochloride

C9H21ClN2O2 — CID 142928283

IUPAC1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
SMILESCCCN1CCCCC1C(N)=O.Cl.O
InChIInChI=1S/C9H18N2O.ClH.H2O/c1-2-6-11-7-4-3-5-8(11)9(10)12;;/h8H,2-7H2,1H3,(H2,10,12);1H;1H2
InChIKeyOYARDSYZPGBGMF-UHFFFAOYSA-N
MW224.73 g/mol
LogP0.33
Rot. Bonds3

About 1-propylpiperidine-2-carboxamide;hydrate;hydrochloride

1-propylpiperidine-2-carboxamide;hydrate;hydrochloride (PubChem CID 142928283) has the molecular formula C9H21ClN2O2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-propylpiperidine-2-carboxamide;hydrate;hydrochloride.

Molecular Properties

Compound Name1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
PubChem CID142928283
Molecular FormulaC9H21ClN2O2
Molecular Weight224.73 g/mol
Exact Mass224.13
IUPAC Name1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
SMILESCCCN1CCCCC1C(N)=O.Cl.O
InChIInChI=1S/C9H18N2O.ClH.H2O/c1-2-6-11-7-4-3-5-8(11)9(10)12;;/h8H,2-7H2,1H3,(H2,10,12);1H;1H2
InChIKeyOYARDSYZPGBGMF-UHFFFAOYSA-N
XLogP0.33
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R)-1-(2-aminoethyl)pyrrolidine-2-carboxamide
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1-[2-(2,4,6-trimethylpiperazin-1-yl)ethyl]piperidine-2-carboxamide
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1-[2-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]ethyl]piperidine-2-carboxamide
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3-cyano-1-propylazepane-2-carboxamide
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1-[2-(azetidin-3-yl)ethyl]piperidine-2-carboxamide
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propan-2-yl 1-propylpiperidine-2-carboxylate
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1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-2-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-propylpiperidine-2-carboxamide;hydrate;hydrochloride?
The IUPAC name of 1-propylpiperidine-2-carboxamide;hydrate;hydrochloride (CID 142928283) is 1-propylpiperidine-2-carboxamide;hydrate;hydrochloride.
What is the SMILES notation for 1-propylpiperidine-2-carboxamide;hydrate;hydrochloride?
The canonical SMILES for 1-propylpiperidine-2-carboxamide;hydrate;hydrochloride is CCCN1CCCCC1C(N)=O.Cl.O.
What is the InChIKey of 1-propylpiperidine-2-carboxamide;hydrate;hydrochloride?
The InChIKey is OYARDSYZPGBGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.ClH.H2O/c1-2-6-11-7-4-3-5-8(11)9(10)12;;/h8H,2-7H2,1H3,(H2,10,12);1H;1H2.
What are the key properties of 1-propylpiperidine-2-carboxamide;hydrate;hydrochloride?
1-propylpiperidine-2-carboxamide;hydrate;hydrochloride has a molecular weight of 224.73 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpiperidine-2-carboxamide;hydrate;hydrochloride is sourced from PubChem (CID 142928283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).