(3S)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

C19H31N3O3 — CID 26315344

IUPAC(3S)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1
InChIInChI=1S/C19H31N3O3/c1-4-20(13-15(2)3)19(25)16-8-9-18(24)22(14-16)12-6-11-21-10-5-7-17(21)23/h16H,2,4-14H2,1,3H3/t16-/m0/s1
InChIKeyJIYGBTFEFWUURU-INIZCTEOSA-N
MW349.48 g/mol
LogP1.66
Rot. Bonds8

About (3S)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

(3S)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 26315344) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (3S)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID26315344
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(3S)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1
InChIInChI=1S/C19H31N3O3/c1-4-20(13-15(2)3)19(25)16-8-9-18(24)22(14-16)12-6-11-21-10-5-7-17(21)23/h16H,2,4-14H2,1,3H3/t16-/m0/s1
InChIKeyJIYGBTFEFWUURU-INIZCTEOSA-N
XLogP1.66
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (CID 26315344) is (3S)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is C=C(C)CN(CC)C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1.
What is the InChIKey of (3S)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is JIYGBTFEFWUURU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-4-20(13-15(2)3)19(25)16-8-9-18(24)22(14-16)12-6-11-21-10-5-7-17(21)23/h16H,2,4-14H2,1,3H3/t16-/m0/s1.
What are the key properties of (3S)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
(3S)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 1.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 26315344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).