(2R)-2-cyclopropyl-2-[(2S,4S,6R)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-propylpiperidin-1-yl]acetamide

C25H40FN5O2 — CID 166950321

IUPAC(2R)-2-cyclopropyl-2-[(2S,4S,6R)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-propylpiperidin-1-yl]acetamide
SMILESCCC[C@@H]1C[C@@H]([C@H]2CCN(c3ncc(F)cn3)C[C@H]2OC)C[C@H](CC)N1[C@@H](C(N)=O)C1CC1
InChIInChI=1S/C25H40FN5O2/c1-4-6-20-12-17(11-19(5-2)31(20)23(24(27)32)16-7-8-16)21-9-10-30(15-22(21)33-3)25-28-13-18(26)14-29-25/h13-14,16-17,19-23H,4-12,15H2,1-3H3,(H2,27,32)/t17-,19-,20+,21+,22+,23+/m0/s1
InChIKeyYJPBXSJTSMYDDN-ALGKBRLSSA-N
MW461.63 g/mol
LogP3.38
Rot. Bonds9

About (2R)-2-cyclopropyl-2-[(2S,4S,6R)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-propylpiperidin-1-yl]acetamide

(2R)-2-cyclopropyl-2-[(2S,4S,6R)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-propylpiperidin-1-yl]acetamide (PubChem CID 166950321) has the molecular formula C25H40FN5O2 and a molecular weight of 461.63 g/mol. Its IUPAC name is (2R)-2-cyclopropyl-2-[(2S,4S,6R)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-propylpiperidin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-cyclopropyl-2-[(2S,4S,6R)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-propylpiperidin-1-yl]acetamide
PubChem CID166950321
Molecular FormulaC25H40FN5O2
Molecular Weight461.63 g/mol
Exact Mass461.32
IUPAC Name(2R)-2-cyclopropyl-2-[(2S,4S,6R)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-propylpiperidin-1-yl]acetamide
SMILESCCC[C@@H]1C[C@@H]([C@H]2CCN(c3ncc(F)cn3)C[C@H]2OC)C[C@H](CC)N1[C@@H](C(N)=O)C1CC1
InChIInChI=1S/C25H40FN5O2/c1-4-6-20-12-17(11-19(5-2)31(20)23(24(27)32)16-7-8-16)21-9-10-30(15-22(21)33-3)25-28-13-18(26)14-29-25/h13-14,16-17,19-23H,4-12,15H2,1-3H3,(H2,27,32)/t17-,19-,20+,21+,22+,23+/m0/s1
InChIKeyYJPBXSJTSMYDDN-ALGKBRLSSA-N
XLogP3.38
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-cyclopropyl-2-[(2S,4S,6R)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-propylpiperidin-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopropyl-2-[(2S,4S,6R)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-propylpiperidin-1-yl]acetamide?
The IUPAC name of (2R)-2-cyclopropyl-2-[(2S,4S,6R)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-propylpiperidin-1-yl]acetamide (CID 166950321) is (2R)-2-cyclopropyl-2-[(2S,4S,6R)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-propylpiperidin-1-yl]acetamide.
What is the SMILES notation for (2R)-2-cyclopropyl-2-[(2S,4S,6R)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-propylpiperidin-1-yl]acetamide?
The canonical SMILES for (2R)-2-cyclopropyl-2-[(2S,4S,6R)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-propylpiperidin-1-yl]acetamide is CCC[C@@H]1C[C@@H]([C@H]2CCN(c3ncc(F)cn3)C[C@H]2OC)C[C@H](CC)N1[C@@H](C(N)=O)C1CC1.
What is the InChIKey of (2R)-2-cyclopropyl-2-[(2S,4S,6R)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-propylpiperidin-1-yl]acetamide?
The InChIKey is YJPBXSJTSMYDDN-ALGKBRLSSA-N. The full InChI is InChI=1S/C25H40FN5O2/c1-4-6-20-12-17(11-19(5-2)31(20)23(24(27)32)16-7-8-16)21-9-10-30(15-22(21)33-3)25-28-13-18(26)14-29-25/h13-14,16-17,19-23H,4-12,15H2,1-3H3,(H2,27,32)/t17-,19-,20+,21+,22+,23+/m0/s1.
What are the key properties of (2R)-2-cyclopropyl-2-[(2S,4S,6R)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-propylpiperidin-1-yl]acetamide?
(2R)-2-cyclopropyl-2-[(2S,4S,6R)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-propylpiperidin-1-yl]acetamide has a molecular weight of 461.63 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopropyl-2-[(2S,4S,6R)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-propylpiperidin-1-yl]acetamide is sourced from PubChem (CID 166950321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).