(5R)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one

C23H37N3O3 — CID 26392128

IUPAC(5R)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one
SMILESC=CCC1(CC=C)CCCN1C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C23H37N3O3/c1-3-9-23(10-4-2)11-5-14-26(23)22(28)20-7-8-21(27)25(19-20)13-6-12-24-15-17-29-18-16-24/h3-4,20H,1-2,5-19H2/t20-/m1/s1
InChIKeyWYZQIHYNNMOTQT-HXUWFJFHSA-N
MW403.57 g/mol
LogP2.46
Rot. Bonds9

About (5R)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one

(5R)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one (PubChem CID 26392128) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is (5R)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one.

Molecular Properties

Compound Name(5R)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one
PubChem CID26392128
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Name(5R)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one
SMILESC=CCC1(CC=C)CCCN1C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C23H37N3O3/c1-3-9-23(10-4-2)11-5-14-26(23)22(28)20-7-8-21(27)25(19-20)13-6-12-24-15-17-29-18-16-24/h3-4,20H,1-2,5-19H2/t20-/m1/s1
InChIKeyWYZQIHYNNMOTQT-HXUWFJFHSA-N
XLogP2.46
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (5R)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one?
The IUPAC name of (5R)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one (CID 26392128) is (5R)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one.
What is the SMILES notation for (5R)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one?
The canonical SMILES for (5R)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one is C=CCC1(CC=C)CCCN1C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1.
What is the InChIKey of (5R)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one?
The InChIKey is WYZQIHYNNMOTQT-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H37N3O3/c1-3-9-23(10-4-2)11-5-14-26(23)22(28)20-7-8-21(27)25(19-20)13-6-12-24-15-17-29-18-16-24/h3-4,20H,1-2,5-19H2/t20-/m1/s1.
What are the key properties of (5R)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one?
(5R)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one has a molecular weight of 403.57 g/mol, XLogP of 2.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one is sourced from PubChem (CID 26392128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).