1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidine-4-carboxamide

C14H22N2O — CID 98109364

IUPAC1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1
InChIInChI=1S/C14H22N2O/c15-14(17)11-3-5-16(6-4-11)9-13-8-10-1-2-12(13)7-10/h1-2,10-13H,3-9H2,(H2,15,17)/t10-,12-,13-/m0/s1
InChIKeyINNMPAAVOYMDSG-DRZSPHRISA-N
MW234.34 g/mol
LogP1.40
Rot. Bonds3

About 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidine-4-carboxamide

1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidine-4-carboxamide (PubChem CID 98109364) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidine-4-carboxamide
PubChem CID98109364
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1
InChIInChI=1S/C14H22N2O/c15-14(17)11-3-5-16(6-4-11)9-13-8-10-1-2-12(13)7-10/h1-2,10-13H,3-9H2,(H2,15,17)/t10-,12-,13-/m0/s1
InChIKeyINNMPAAVOYMDSG-DRZSPHRISA-N
XLogP1.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazin-1-yl]ethanol
CID 11871342
1-[(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
CID 166510915
(2R)-1-[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 129320824
[4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 98194660
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine
CID 98124191
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylphenyl)piperidine
CID 11529266
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(1H-pyrazol-5-yl)piperidine
CID 124572355
1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-propylsulfonylpiperazine
CID 6593197
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-pentan-3-ylpiperazine
CID 11896721
[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 139403658
benzene;1-ethylpiperidine-4-carboxamide
CID 91582947
2-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]pyrimidine
CID 11587119

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidine-4-carboxamide (CID 98109364) is 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidine-4-carboxamide is NC(=O)C1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1.
What is the InChIKey of 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidine-4-carboxamide?
The InChIKey is INNMPAAVOYMDSG-DRZSPHRISA-N. The full InChI is InChI=1S/C14H22N2O/c15-14(17)11-3-5-16(6-4-11)9-13-8-10-1-2-12(13)7-10/h1-2,10-13H,3-9H2,(H2,15,17)/t10-,12-,13-/m0/s1.
What are the key properties of 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidine-4-carboxamide?
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidine-4-carboxamide has a molecular weight of 234.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 98109364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).