(2R,3S)-1-methyl-2-octyl-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide

C21H39N3O2 — CID 167202273

IUPAC(2R,3S)-1-methyl-2-octyl-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESCCCCCCCC[C@@H]1[C@@H](C(=O)NCCN2CCCCC2)CC(=O)N1C
InChIInChI=1S/C21H39N3O2/c1-3-4-5-6-7-9-12-19-18(17-20(25)23(19)2)21(26)22-13-16-24-14-10-8-11-15-24/h18-19H,3-17H2,1-2H3,(H,22,26)/t18-,19+/m0/s1
InChIKeyFVCNJAUXIZIGJK-RBUKOAKNSA-N
MW365.56 g/mol
LogP3.19
Rot. Bonds11

About (2R,3S)-1-methyl-2-octyl-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide

(2R,3S)-1-methyl-2-octyl-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 167202273) has the molecular formula C21H39N3O2 and a molecular weight of 365.56 g/mol. Its IUPAC name is (2R,3S)-1-methyl-2-octyl-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-1-methyl-2-octyl-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
PubChem CID167202273
Molecular FormulaC21H39N3O2
Molecular Weight365.56 g/mol
Exact Mass365.30
IUPAC Name(2R,3S)-1-methyl-2-octyl-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESCCCCCCCC[C@@H]1[C@@H](C(=O)NCCN2CCCCC2)CC(=O)N1C
InChIInChI=1S/C21H39N3O2/c1-3-4-5-6-7-9-12-19-18(17-20(25)23(19)2)21(26)22-13-16-24-14-10-8-11-15-24/h18-19H,3-17H2,1-2H3,(H,22,26)/t18-,19+/m0/s1
InChIKeyFVCNJAUXIZIGJK-RBUKOAKNSA-N
XLogP3.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.56
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,3S)-1-methyl-2-octyl-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-octyl-3-(2-piperidin-1-ylethyl)urea
CID 139652292
1-(2-piperidin-1-ylethyl)-3-tetradecylurea
CID 139652340
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
1-[2-(azepan-1-yl)ethyl]-2-hexylguanidine
CID 111057000
[6-(2-piperidin-1-ylethylcarbamoyl)cyclohex-3-en-1-yl]methyl N-octadecylcarbamate
CID 21266136
1-pentyl-3-(6-piperidin-1-ylhexyl)urea
CID 58599050
CID 162323144
CID 162323144
ethane;1-nonylpiperidine
CID 177011009
1,4-dimethyl-5-pentylpyrrolidin-2-one
CID 138496527
1-octadecyl-3-(3-piperidin-1-ylpropyl)urea
CID 139652296
(2R,3S)-1-dodecyl-5-oxo-2-undecylpyrrolidine-3-carboxylic acid
CID 171432322

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-methyl-2-octyl-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (2R,3S)-1-methyl-2-octyl-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide (CID 167202273) is (2R,3S)-1-methyl-2-octyl-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-1-methyl-2-octyl-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3S)-1-methyl-2-octyl-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide is CCCCCCCC[C@@H]1[C@@H](C(=O)NCCN2CCCCC2)CC(=O)N1C.
What is the InChIKey of (2R,3S)-1-methyl-2-octyl-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is FVCNJAUXIZIGJK-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H39N3O2/c1-3-4-5-6-7-9-12-19-18(17-20(25)23(19)2)21(26)22-13-16-24-14-10-8-11-15-24/h18-19H,3-17H2,1-2H3,(H,22,26)/t18-,19+/m0/s1.
What are the key properties of (2R,3S)-1-methyl-2-octyl-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
(2R,3S)-1-methyl-2-octyl-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 365.56 g/mol, XLogP of 3.19, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-methyl-2-octyl-5-oxo-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 167202273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).