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

C19H31N3O3 — CID 26315343

IUPAC(3R)-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-/m1/s1
InChIKeyJIYGBTFEFWUURU-MRXNPFEDSA-N
MW349.48 g/mol
LogP1.66
Rot. Bonds8

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

(3R)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 26315343) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (3R)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID26315343
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(3R)-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-/m1/s1
InChIKeyJIYGBTFEFWUURU-MRXNPFEDSA-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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Related Compounds

3-Methyl-1-[3-(pyrrolidinylcarbonyl)piperidyl]butan-1-one
CID 16468957
N-ethyl-1-(2-methylpropanoyl)-N-(2-methylprop-2-enyl)piperidine-3-carboxamide
CID 51078015
1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 94579714
N-allyl-6-oxo-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-N-2-propyn-1-yl-3-piperidinecarboxamide
CID 45248332
1-[3-(Pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 53015062
2-Methyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 60725390
1-[3-(Pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 87023375
1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94582648
2-methyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 176811859
2-Methyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 177171076
1-[(3S)-3-(3-methylidenepyrrolidine-1-carbonyl)piperidin-1-yl]but-3-en-1-one
CID 178063236
3-methyl-1-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 7026516

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (CID 26315343) is (3R)-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 (3R)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-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 (3R)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is JIYGBTFEFWUURU-MRXNPFEDSA-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-/m1/s1.
What are the key properties of (3R)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
(3R)-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 (3R)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 26315343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).