(5S)-5-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-1-carbonyl]piperidin-2-one

C18H28N2O2 — CID 129377664

IUPAC(5S)-5-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-1-carbonyl]piperidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCC[C@@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)CN1
InChIInChI=1S/C18H28N2O2/c21-17-6-5-14(11-19-17)18(22)20-7-1-2-16(20)10-15-9-12-3-4-13(15)8-12/h12-16H,1-11H2,(H,19,21)/t12-,13-,14-,15-,16+/m0/s1
InChIKeyCUDHLFWVYWBVLG-UVPYHEFZSA-N
MW304.43 g/mol
LogP2.33
Rot. Bonds3

About (5S)-5-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-1-carbonyl]piperidin-2-one

(5S)-5-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-1-carbonyl]piperidin-2-one (PubChem CID 129377664) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (5S)-5-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-1-carbonyl]piperidin-2-one
PubChem CID129377664
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(5S)-5-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-1-carbonyl]piperidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCC[C@@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)CN1
InChIInChI=1S/C18H28N2O2/c21-17-6-5-14(11-19-17)18(22)20-7-1-2-16(20)10-15-9-12-3-4-13(15)8-12/h12-16H,1-11H2,(H,19,21)/t12-,13-,14-,15-,16+/m0/s1
InChIKeyCUDHLFWVYWBVLG-UVPYHEFZSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S)-5-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-1-carbonyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 102555787
5-[2-(2-aminoethyl)piperidine-1-carbonyl]piperidin-2-one
CID 83192038
1-[2-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 102554512
[(2S)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 98756565
5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)piperidin-2-one
CID 102679338
1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 119766483
1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119766499
4-[2-(hydroxymethyl)azepane-1-carbonyl]pyrrolidin-2-one
CID 116636786
5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one
CID 112728798
4-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 86268660
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 78991272
2-[1-(5-oxopyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid
CID 83192498

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-1-carbonyl]piperidin-2-one?
The IUPAC name of (5S)-5-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-1-carbonyl]piperidin-2-one (CID 129377664) is (5S)-5-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for (5S)-5-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for (5S)-5-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-1-carbonyl]piperidin-2-one is O=C1CC[C@H](C(=O)N2CCC[C@@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)CN1.
What is the InChIKey of (5S)-5-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-1-carbonyl]piperidin-2-one?
The InChIKey is CUDHLFWVYWBVLG-UVPYHEFZSA-N. The full InChI is InChI=1S/C18H28N2O2/c21-17-6-5-14(11-19-17)18(22)20-7-1-2-16(20)10-15-9-12-3-4-13(15)8-12/h12-16H,1-11H2,(H,19,21)/t12-,13-,14-,15-,16+/m0/s1.
What are the key properties of (5S)-5-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-1-carbonyl]piperidin-2-one?
(5S)-5-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-1-carbonyl]piperidin-2-one has a molecular weight of 304.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 129377664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).