1-prop-1-en-2-ylpiperidine-2-carboxamide

C9H16N2O — CID 163615079

IUPAC1-prop-1-en-2-ylpiperidine-2-carboxamide
SMILESC=C(C)N1CCCCC1C(N)=O
InChIInChI=1S/C9H16N2O/c1-7(2)11-6-4-3-5-8(11)9(10)12/h8H,1,3-6H2,2H3,(H2,10,12)
InChIKeyHJHCXUVZDFKTMO-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.86
Rot. Bonds2

About 1-prop-1-en-2-ylpiperidine-2-carboxamide

1-prop-1-en-2-ylpiperidine-2-carboxamide (PubChem CID 163615079) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-prop-1-en-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-prop-1-en-2-ylpiperidine-2-carboxamide
PubChem CID163615079
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-prop-1-en-2-ylpiperidine-2-carboxamide
SMILESC=C(C)N1CCCCC1C(N)=O
InChIInChI=1S/C9H16N2O/c1-7(2)11-6-4-3-5-8(11)9(10)12/h8H,1,3-6H2,2H3,(H2,10,12)
InChIKeyHJHCXUVZDFKTMO-UHFFFAOYSA-N
XLogP0.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propylpiperidine-2-carboxamide
CID 20571283
1-Ethylpiperidine-2-carboxamide
CID 59746401
1-Prop-2-enylpiperidine-2-carboxamide
CID 67292976
1-Butylpiperidine-2-carboxamide
CID 67757563
2-Piperidin-1-ylhexanamide
CID 67908246
1-Pentylpiperidine-2-carboxamide
CID 68558294
1-Propan-2-ylpiperidine-2-carboxamide
CID 68625565
1-Butylpiperidine-2-carboxamide;hydrochloride
CID 71433345
1-Propylpiperidine-2-carboxamide;hydrochloride
CID 71433459
(2S)-1-ethylpiperidine-2-carboxamide
CID 91274583
(2R)-1-ethylpiperidine-2-carboxamide
CID 96928334
(2R)-1-propylpiperidine-2-carboxamide
CID 96928350

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-ylpiperidine-2-carboxamide?
The IUPAC name of 1-prop-1-en-2-ylpiperidine-2-carboxamide (CID 163615079) is 1-prop-1-en-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for 1-prop-1-en-2-ylpiperidine-2-carboxamide?
The canonical SMILES for 1-prop-1-en-2-ylpiperidine-2-carboxamide is C=C(C)N1CCCCC1C(N)=O.
What is the InChIKey of 1-prop-1-en-2-ylpiperidine-2-carboxamide?
The InChIKey is HJHCXUVZDFKTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)11-6-4-3-5-8(11)9(10)12/h8H,1,3-6H2,2H3,(H2,10,12).
What are the key properties of 1-prop-1-en-2-ylpiperidine-2-carboxamide?
1-prop-1-en-2-ylpiperidine-2-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 163615079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).