4-[4-[5-[(2S)-1-[(2-fluorocyclohexyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine

C22H40FN5O2 — CID 163175323

IUPAC4-[4-[5-[(2S)-1-[(2-fluorocyclohexyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
SMILESFC1CCCCC1CN1CCC[C@H]1C1NC(C2CCNC(N3CCOCC3)C2)NO1
InChIInChI=1S/C22H40FN5O2/c23-18-5-2-1-4-17(18)15-28-9-3-6-19(28)22-25-21(26-30-22)16-7-8-24-20(14-16)27-10-12-29-13-11-27/h16-22,24-26H,1-15H2/t16?,17?,18?,19-,20?,21?,22?/m0/s1
InChIKeyDIDVLFTYQLVGEM-PVPDUZPASA-N
MW425.59 g/mol
LogP1.41
Rot. Bonds5

About 4-[4-[5-[(2S)-1-[(2-fluorocyclohexyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine

4-[4-[5-[(2S)-1-[(2-fluorocyclohexyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine (PubChem CID 163175323) has the molecular formula C22H40FN5O2 and a molecular weight of 425.59 g/mol. Its IUPAC name is 4-[4-[5-[(2S)-1-[(2-fluorocyclohexyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[5-[(2S)-1-[(2-fluorocyclohexyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
PubChem CID163175323
Molecular FormulaC22H40FN5O2
Molecular Weight425.59 g/mol
Exact Mass425.32
IUPAC Name4-[4-[5-[(2S)-1-[(2-fluorocyclohexyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
SMILESFC1CCCCC1CN1CCC[C@H]1C1NC(C2CCNC(N3CCOCC3)C2)NO1
InChIInChI=1S/C22H40FN5O2/c23-18-5-2-1-4-17(18)15-28-9-3-6-19(28)22-25-21(26-30-22)16-7-8-24-20(14-16)27-10-12-29-13-11-27/h16-22,24-26H,1-15H2/t16?,17?,18?,19-,20?,21?,22?/m0/s1
InChIKeyDIDVLFTYQLVGEM-PVPDUZPASA-N
XLogP1.41
TPSA61.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.59
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
CID 163157810
4-[4-[5-[(2S)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
CID 163177403
4-[4-[5-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
CID 163174339
5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(2-pyrrolidin-1-ylpiperidin-4-yl)-1,2,4-oxadiazolidine
CID 163139063
1-[4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]piperidine-4-carboxamide
CID 162965112
4-[5-[5-[(2S)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
CID 163164393
1-[4-[5-[(2S)-1-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]piperidine-4-carboxamide
CID 162812229
4-[5-[5-[(2S)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
CID 163128663
4-[5-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine
CID 163158645
N-(2-methoxyethyl)-4-[5-[1-(piperidin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine
CID 163118309
1-[(2-fluorocyclohexyl)methyl]-2-piperidin-2-ylpiperidine
CID 163123470
4-[4-[5-[(2S)-1-(1-methylpiperidin-1-ium-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-ium-2-yl]morpholine
CID 162965848

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[(2S)-1-[(2-fluorocyclohexyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine?
The IUPAC name of 4-[4-[5-[(2S)-1-[(2-fluorocyclohexyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine (CID 163175323) is 4-[4-[5-[(2S)-1-[(2-fluorocyclohexyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[5-[(2S)-1-[(2-fluorocyclohexyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[5-[(2S)-1-[(2-fluorocyclohexyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine is FC1CCCCC1CN1CCC[C@H]1C1NC(C2CCNC(N3CCOCC3)C2)NO1.
What is the InChIKey of 4-[4-[5-[(2S)-1-[(2-fluorocyclohexyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine?
The InChIKey is DIDVLFTYQLVGEM-PVPDUZPASA-N. The full InChI is InChI=1S/C22H40FN5O2/c23-18-5-2-1-4-17(18)15-28-9-3-6-19(28)22-25-21(26-30-22)16-7-8-24-20(14-16)27-10-12-29-13-11-27/h16-22,24-26H,1-15H2/t16?,17?,18?,19-,20?,21?,22?/m0/s1.
What are the key properties of 4-[4-[5-[(2S)-1-[(2-fluorocyclohexyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine?
4-[4-[5-[(2S)-1-[(2-fluorocyclohexyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine has a molecular weight of 425.59 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[(2S)-1-[(2-fluorocyclohexyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-yl]morpholine is sourced from PubChem (CID 163175323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).