(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[4-(2-morpholin-4-ylethoxy)piperidin-1-yl]propanamide

C22H34FN3O3 — CID 96522482

IUPAC(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[4-(2-morpholin-4-ylethoxy)piperidin-1-yl]propanamide
SMILESC[C@H](C(=O)N[C@H](C)c1ccc(F)cc1)N1CCC(OCCN2CCOCC2)CC1
InChIInChI=1S/C22H34FN3O3/c1-17(19-3-5-20(23)6-4-19)24-22(27)18(2)26-9-7-21(8-10-26)29-16-13-25-11-14-28-15-12-25/h3-6,17-18,21H,7-16H2,1-2H3,(H,24,27)/t17-,18-/m1/s1
InChIKeyFNXBHKZKWSKYRN-QZTJIDSGSA-N
MW407.53 g/mol
LogP2.20
Rot. Bonds8

About (2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[4-(2-morpholin-4-ylethoxy)piperidin-1-yl]propanamide

(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[4-(2-morpholin-4-ylethoxy)piperidin-1-yl]propanamide (PubChem CID 96522482) has the molecular formula C22H34FN3O3 and a molecular weight of 407.53 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[4-(2-morpholin-4-ylethoxy)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[4-(2-morpholin-4-ylethoxy)piperidin-1-yl]propanamide
PubChem CID96522482
Molecular FormulaC22H34FN3O3
Molecular Weight407.53 g/mol
Exact Mass407.26
IUPAC Name(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[4-(2-morpholin-4-ylethoxy)piperidin-1-yl]propanamide
SMILESC[C@H](C(=O)N[C@H](C)c1ccc(F)cc1)N1CCC(OCCN2CCOCC2)CC1
InChIInChI=1S/C22H34FN3O3/c1-17(19-3-5-20(23)6-4-19)24-22(27)18(2)26-9-7-21(8-10-26)29-16-13-25-11-14-28-15-12-25/h3-6,17-18,21H,7-16H2,1-2H3,(H,24,27)/t17-,18-/m1/s1
InChIKeyFNXBHKZKWSKYRN-QZTJIDSGSA-N
XLogP2.20
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.53
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[4-(2-morpholin-4-ylethoxy)piperidin-1-yl]propanamide?
The IUPAC name of (2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[4-(2-morpholin-4-ylethoxy)piperidin-1-yl]propanamide (CID 96522482) is (2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[4-(2-morpholin-4-ylethoxy)piperidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[4-(2-morpholin-4-ylethoxy)piperidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[4-(2-morpholin-4-ylethoxy)piperidin-1-yl]propanamide is C[C@H](C(=O)N[C@H](C)c1ccc(F)cc1)N1CCC(OCCN2CCOCC2)CC1.
What is the InChIKey of (2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[4-(2-morpholin-4-ylethoxy)piperidin-1-yl]propanamide?
The InChIKey is FNXBHKZKWSKYRN-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H34FN3O3/c1-17(19-3-5-20(23)6-4-19)24-22(27)18(2)26-9-7-21(8-10-26)29-16-13-25-11-14-28-15-12-25/h3-6,17-18,21H,7-16H2,1-2H3,(H,24,27)/t17-,18-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[4-(2-morpholin-4-ylethoxy)piperidin-1-yl]propanamide?
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[4-(2-morpholin-4-ylethoxy)piperidin-1-yl]propanamide has a molecular weight of 407.53 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[4-(2-morpholin-4-ylethoxy)piperidin-1-yl]propanamide is sourced from PubChem (CID 96522482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).