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

C23H36FN5O2 — CID 174086968

IUPAC(2R)-2-cyclopropyl-2-[(2R,4S,6S)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-methylpiperidin-1-yl]acetamide
SMILESCC[C@@H]1C[C@@H]([C@H]2CCN(c3ncc(F)cn3)C[C@H]2OC)C[C@H](C)N1[C@@H](C(N)=O)C1CC1
InChIInChI=1S/C23H36FN5O2/c1-4-18-10-16(9-14(2)29(18)21(22(25)30)15-5-6-15)19-7-8-28(13-20(19)31-3)23-26-11-17(24)12-27-23/h11-12,14-16,18-21H,4-10,13H2,1-3H3,(H2,25,30)/t14-,16-,18+,19+,20+,21+/m0/s1
InChIKeyPRTFNNQUMSYVTI-REYOSZHASA-N
MW433.57 g/mol
LogP2.60
Rot. Bonds7

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

(2R)-2-cyclopropyl-2-[(2R,4S,6S)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-methylpiperidin-1-yl]acetamide (PubChem CID 174086968) has the molecular formula C23H36FN5O2 and a molecular weight of 433.57 g/mol. Its IUPAC name is (2R)-2-cyclopropyl-2-[(2R,4S,6S)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-cyclopropyl-2-[(2R,4S,6S)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-methylpiperidin-1-yl]acetamide
PubChem CID174086968
Molecular FormulaC23H36FN5O2
Molecular Weight433.57 g/mol
Exact Mass433.29
IUPAC Name(2R)-2-cyclopropyl-2-[(2R,4S,6S)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-methylpiperidin-1-yl]acetamide
SMILESCC[C@@H]1C[C@@H]([C@H]2CCN(c3ncc(F)cn3)C[C@H]2OC)C[C@H](C)N1[C@@H](C(N)=O)C1CC1
InChIInChI=1S/C23H36FN5O2/c1-4-18-10-16(9-14(2)29(18)21(22(25)30)15-5-6-15)19-7-8-28(13-20(19)31-3)23-26-11-17(24)12-27-23/h11-12,14-16,18-21H,4-10,13H2,1-3H3,(H2,25,30)/t14-,16-,18+,19+,20+,21+/m0/s1
InChIKeyPRTFNNQUMSYVTI-REYOSZHASA-N
XLogP2.60
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 104606421
1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 103990084
2-[4-[1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]piperidin-1-yl]acetamide
CID 166953281
1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol
CID 103826127
(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 134700702
5-fluoro-2-(3-methoxypiperidin-1-yl)pyrimidine
CID 134532206
2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine
CID 104606673
tert-butyl N-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]carbamate
CID 71632079
2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine
CID 106838724
(2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid
CID 170154976
1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone
CID 104606096
ethyl (3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-sulfamoylpiperidine-3-carboxylate
CID 134552969

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopropyl-2-[(2R,4S,6S)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-methylpiperidin-1-yl]acetamide?
The IUPAC name of (2R)-2-cyclopropyl-2-[(2R,4S,6S)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-methylpiperidin-1-yl]acetamide (CID 174086968) is (2R)-2-cyclopropyl-2-[(2R,4S,6S)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for (2R)-2-cyclopropyl-2-[(2R,4S,6S)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-methylpiperidin-1-yl]acetamide?
The canonical SMILES for (2R)-2-cyclopropyl-2-[(2R,4S,6S)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-methylpiperidin-1-yl]acetamide is CC[C@@H]1C[C@@H]([C@H]2CCN(c3ncc(F)cn3)C[C@H]2OC)C[C@H](C)N1[C@@H](C(N)=O)C1CC1.
What is the InChIKey of (2R)-2-cyclopropyl-2-[(2R,4S,6S)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-methylpiperidin-1-yl]acetamide?
The InChIKey is PRTFNNQUMSYVTI-REYOSZHASA-N. The full InChI is InChI=1S/C23H36FN5O2/c1-4-18-10-16(9-14(2)29(18)21(22(25)30)15-5-6-15)19-7-8-28(13-20(19)31-3)23-26-11-17(24)12-27-23/h11-12,14-16,18-21H,4-10,13H2,1-3H3,(H2,25,30)/t14-,16-,18+,19+,20+,21+/m0/s1.
What are the key properties of (2R)-2-cyclopropyl-2-[(2R,4S,6S)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-methylpiperidin-1-yl]acetamide?
(2R)-2-cyclopropyl-2-[(2R,4S,6S)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-methylpiperidin-1-yl]acetamide has a molecular weight of 433.57 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopropyl-2-[(2R,4S,6S)-2-ethyl-4-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-6-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 174086968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).