2-[(3S,3aR,4S,6aS)-4-[2-(diethylamino)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide

C23H40N4O3 — CID 155979294

IUPAC2-[(3S,3aR,4S,6aS)-4-[2-(diethylamino)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide
SMILESCCN(CC)C(=O)C[C@@H]1OC[C@@H]2[C@H]1[C@H](CC(=O)NC1CC1)CN2C1CCN(C)CC1
InChIInChI=1S/C23H40N4O3/c1-4-26(5-2)22(29)13-20-23-16(12-21(28)24-17-6-7-17)14-27(19(23)15-30-20)18-8-10-25(3)11-9-18/h16-20,23H,4-15H2,1-3H3,(H,24,28)/t16-,19-,20+,23-/m1/s1
InChIKeyHIMINLPJIINJIG-LOODEUFTSA-N
MW420.60 g/mol
LogP1.32
Rot. Bonds8

About 2-[(3S,3aR,4S,6aS)-4-[2-(diethylamino)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide

2-[(3S,3aR,4S,6aS)-4-[2-(diethylamino)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide (PubChem CID 155979294) has the molecular formula C23H40N4O3 and a molecular weight of 420.60 g/mol. Its IUPAC name is 2-[(3S,3aR,4S,6aS)-4-[2-(diethylamino)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(3S,3aR,4S,6aS)-4-[2-(diethylamino)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide
PubChem CID155979294
Molecular FormulaC23H40N4O3
Molecular Weight420.60 g/mol
Exact Mass420.31
IUPAC Name2-[(3S,3aR,4S,6aS)-4-[2-(diethylamino)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide
SMILESCCN(CC)C(=O)C[C@@H]1OC[C@@H]2[C@H]1[C@H](CC(=O)NC1CC1)CN2C1CCN(C)CC1
InChIInChI=1S/C23H40N4O3/c1-4-26(5-2)22(29)13-20-23-16(12-21(28)24-17-6-7-17)14-27(19(23)15-30-20)18-8-10-25(3)11-9-18/h16-20,23H,4-15H2,1-3H3,(H,24,28)/t16-,19-,20+,23-/m1/s1
InChIKeyHIMINLPJIINJIG-LOODEUFTSA-N
XLogP1.32
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3S,3aR,4S,6aS)-4-[2-(diethylamino)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,3aR,4S,6aS)-4-[2-(diethylamino)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[(3S,3aR,4S,6aS)-4-[2-(diethylamino)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide (CID 155979294) is 2-[(3S,3aR,4S,6aS)-4-[2-(diethylamino)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(3S,3aR,4S,6aS)-4-[2-(diethylamino)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(3S,3aR,4S,6aS)-4-[2-(diethylamino)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide is CCN(CC)C(=O)C[C@@H]1OC[C@@H]2[C@H]1[C@H](CC(=O)NC1CC1)CN2C1CCN(C)CC1.
What is the InChIKey of 2-[(3S,3aR,4S,6aS)-4-[2-(diethylamino)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide?
The InChIKey is HIMINLPJIINJIG-LOODEUFTSA-N. The full InChI is InChI=1S/C23H40N4O3/c1-4-26(5-2)22(29)13-20-23-16(12-21(28)24-17-6-7-17)14-27(19(23)15-30-20)18-8-10-25(3)11-9-18/h16-20,23H,4-15H2,1-3H3,(H,24,28)/t16-,19-,20+,23-/m1/s1.
What are the key properties of 2-[(3S,3aR,4S,6aS)-4-[2-(diethylamino)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide?
2-[(3S,3aR,4S,6aS)-4-[2-(diethylamino)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide has a molecular weight of 420.60 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,3aR,4S,6aS)-4-[2-(diethylamino)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 155979294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).