1-[[1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetyl]piperidin-4-yl]methyl]pyrrolidin-2-one

C19H28N2O2 — CID 70785471

IUPAC1-[[1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCC(CN2CCCC2=O)CC1
InChIInChI=1S/C19H28N2O2/c22-18-2-1-7-21(18)13-14-5-8-20(9-6-14)19(23)12-17-11-15-3-4-16(17)10-15/h3-4,14-17H,1-2,5-13H2/t15-,16+,17+/m1/s1
InChIKeyODAFBIXXNGUREH-IKGGRYGDSA-N
MW316.45 g/mol
LogP2.45
Rot. Bonds4

About 1-[[1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetyl]piperidin-4-yl]methyl]pyrrolidin-2-one

1-[[1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetyl]piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 70785471) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-[[1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetyl]piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetyl]piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID70785471
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name1-[[1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCC(CN2CCCC2=O)CC1
InChIInChI=1S/C19H28N2O2/c22-18-2-1-7-21(18)13-14-5-8-20(9-6-14)19(23)12-17-11-15-3-4-16(17)10-15/h3-4,14-17H,1-2,5-13H2/t15-,16+,17+/m1/s1
InChIKeyODAFBIXXNGUREH-IKGGRYGDSA-N
XLogP2.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 70737550
4-[3-oxo-3-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]propyl]benzoic acid
CID 119185876
1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one
CID 111538893
1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 45242721
9-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56744967
1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride
CID 155973196
1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one
CID 120634417
(4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 97347669
5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126786973
1-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methyl]piperidin-2-one
CID 119794155
1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119329547
1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 59776829

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetyl]piperidin-4-yl]methyl]pyrrolidin-2-one (CID 70785471) is 1-[[1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetyl]piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetyl]piperidin-4-yl]methyl]pyrrolidin-2-one is O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCC(CN2CCCC2=O)CC1.
What is the InChIKey of 1-[[1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is ODAFBIXXNGUREH-IKGGRYGDSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-18-2-1-7-21(18)13-14-5-8-20(9-6-14)19(23)12-17-11-15-3-4-16(17)10-15/h3-4,14-17H,1-2,5-13H2/t15-,16+,17+/m1/s1.
What are the key properties of 1-[[1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetyl]piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 316.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetyl]piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 70785471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).