(5R,6R)-1-ethyl-6-(3-methoxyphenyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one

C22H33N3O3 — CID 110087715

IUPAC(5R,6R)-1-ethyl-6-(3-methoxyphenyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one
SMILESCCN1C(=O)CC[C@@H](C(=O)N2CCN(C(C)C)CC2)C1c1cccc(OC)c1
InChIInChI=1S/C22H33N3O3/c1-5-25-20(26)10-9-19(21(25)17-7-6-8-18(15-17)28-4)22(27)24-13-11-23(12-14-24)16(2)3/h6-8,15-16,19,21H,5,9-14H2,1-4H3/t19-,21?/m1/s1
InChIKeyBGNXXRDWGIZYGL-YMBRHYMPSA-N
MW387.52 g/mol
LogP2.55
Rot. Bonds5

About (5R,6R)-1-ethyl-6-(3-methoxyphenyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one

(5R,6R)-1-ethyl-6-(3-methoxyphenyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one (PubChem CID 110087715) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is (5R,6R)-1-ethyl-6-(3-methoxyphenyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-1-ethyl-6-(3-methoxyphenyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one
PubChem CID110087715
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name(5R,6R)-1-ethyl-6-(3-methoxyphenyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one
SMILESCCN1C(=O)CC[C@@H](C(=O)N2CCN(C(C)C)CC2)C1c1cccc(OC)c1
InChIInChI=1S/C22H33N3O3/c1-5-25-20(26)10-9-19(21(25)17-7-6-8-18(15-17)28-4)22(27)24-13-11-23(12-14-24)16(2)3/h6-8,15-16,19,21H,5,9-14H2,1-4H3/t19-,21?/m1/s1
InChIKeyBGNXXRDWGIZYGL-YMBRHYMPSA-N
XLogP2.55
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-1-ethyl-6-(3-methoxyphenyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one?
The IUPAC name of (5R,6R)-1-ethyl-6-(3-methoxyphenyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one (CID 110087715) is (5R,6R)-1-ethyl-6-(3-methoxyphenyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for (5R,6R)-1-ethyl-6-(3-methoxyphenyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one?
The canonical SMILES for (5R,6R)-1-ethyl-6-(3-methoxyphenyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one is CCN1C(=O)CC[C@@H](C(=O)N2CCN(C(C)C)CC2)C1c1cccc(OC)c1.
What is the InChIKey of (5R,6R)-1-ethyl-6-(3-methoxyphenyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one?
The InChIKey is BGNXXRDWGIZYGL-YMBRHYMPSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-5-25-20(26)10-9-19(21(25)17-7-6-8-18(15-17)28-4)22(27)24-13-11-23(12-14-24)16(2)3/h6-8,15-16,19,21H,5,9-14H2,1-4H3/t19-,21?/m1/s1.
What are the key properties of (5R,6R)-1-ethyl-6-(3-methoxyphenyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one?
(5R,6R)-1-ethyl-6-(3-methoxyphenyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one has a molecular weight of 387.52 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-1-ethyl-6-(3-methoxyphenyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 110087715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).