2-cyclopropyl-2-[3-[(2S,4S)-1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide

C22H32FN5O — CID 162443733

IUPAC2-cyclopropyl-2-[3-[(2S,4S)-1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESC[C@H]1C[C@@H](C2CC3CCC(C2)N3C(C(N)=O)C2CC2)CCN1c1ncc(F)cn1
InChIInChI=1S/C22H32FN5O/c1-13-8-15(6-7-27(13)22-25-11-17(23)12-26-22)16-9-18-4-5-19(10-16)28(18)20(21(24)29)14-2-3-14/h11-16,18-20H,2-10H2,1H3,(H2,24,29)/t13-,15-,16?,18?,19?,20?/m0/s1
InChIKeyOLGODMIRYXFSBW-NXKMYPRRSA-N
MW401.53 g/mol
LogP2.73
Rot. Bonds5

About 2-cyclopropyl-2-[3-[(2S,4S)-1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide

2-cyclopropyl-2-[3-[(2S,4S)-1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide (PubChem CID 162443733) has the molecular formula C22H32FN5O and a molecular weight of 401.53 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-[(2S,4S)-1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-2-[3-[(2S,4S)-1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide
PubChem CID162443733
Molecular FormulaC22H32FN5O
Molecular Weight401.53 g/mol
Exact Mass401.26
IUPAC Name2-cyclopropyl-2-[3-[(2S,4S)-1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESC[C@H]1C[C@@H](C2CC3CCC(C2)N3C(C(N)=O)C2CC2)CCN1c1ncc(F)cn1
InChIInChI=1S/C22H32FN5O/c1-13-8-15(6-7-27(13)22-25-11-17(23)12-26-22)16-9-18-4-5-19(10-16)28(18)20(21(24)29)14-2-3-14/h11-16,18-20H,2-10H2,1H3,(H2,24,29)/t13-,15-,16?,18?,19?,20?/m0/s1
InChIKeyOLGODMIRYXFSBW-NXKMYPRRSA-N
XLogP2.73
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-2-[3-[(2S,4S)-1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide with MolForge

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Related Compounds

Ledasorexton
CID 162702128
US11479552, Example 2
CID 162702113
US11479552, Example 4
CID 162702116
2-cyclopropyl-2-[3-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 162443728
(2R)-2-[(1R,5R)-3-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-3-methylbutanamide
CID 162443729
3-[(2S,4S)-1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]-8-azabicyclo[3.2.1]octane
CID 162443735
(1R,5S)-3-[(2S,4S)-1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]-8-azabicyclo[3.2.1]octane
CID 162702119
(2S)-2-cyclopropyl-3-[(1S,5R)-3-[(2S,4S)-1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]propanamide
CID 162702120
(2S)-2-cyclopropyl-3-[(1S,5R)-3-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]propanamide
CID 162702130
(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
(2R)-2-cyclopropyl-2-[(1R,5S)-3-[(2S)-1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 166953268
2-[4-[1-(5-Fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]piperidin-1-yl]acetamide
CID 166953281

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[3-[(2S,4S)-1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The IUPAC name of 2-cyclopropyl-2-[3-[(2S,4S)-1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide (CID 162443733) is 2-cyclopropyl-2-[3-[(2S,4S)-1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide.
What is the SMILES notation for 2-cyclopropyl-2-[3-[(2S,4S)-1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The canonical SMILES for 2-cyclopropyl-2-[3-[(2S,4S)-1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide is C[C@H]1C[C@@H](C2CC3CCC(C2)N3C(C(N)=O)C2CC2)CCN1c1ncc(F)cn1.
What is the InChIKey of 2-cyclopropyl-2-[3-[(2S,4S)-1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The InChIKey is OLGODMIRYXFSBW-NXKMYPRRSA-N. The full InChI is InChI=1S/C22H32FN5O/c1-13-8-15(6-7-27(13)22-25-11-17(23)12-26-22)16-9-18-4-5-19(10-16)28(18)20(21(24)29)14-2-3-14/h11-16,18-20H,2-10H2,1H3,(H2,24,29)/t13-,15-,16?,18?,19?,20?/m0/s1.
What are the key properties of 2-cyclopropyl-2-[3-[(2S,4S)-1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
2-cyclopropyl-2-[3-[(2S,4S)-1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide has a molecular weight of 401.53 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[3-[(2S,4S)-1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide is sourced from PubChem (CID 162443733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).