(3S,4S)-4-[4-(2-phenylethyl)piperazin-1-yl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-3-ol

C22H33N5O2 — CID 133134867

IUPAC(3S,4S)-4-[4-(2-phenylethyl)piperazin-1-yl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-3-ol
SMILESCC(C)c1nc(N2CC[C@H](N3CCN(CCc4ccccc4)CC3)[C@@H](O)C2)no1
InChIInChI=1S/C22H33N5O2/c1-17(2)21-23-22(24-29-21)27-11-9-19(20(28)16-27)26-14-12-25(13-15-26)10-8-18-6-4-3-5-7-18/h3-7,17,19-20,28H,8-16H2,1-2H3/t19-,20-/m0/s1
InChIKeyUGFTUJJOFRRLRT-PMACEKPBSA-N
MW399.54 g/mol
LogP1.99
Rot. Bonds6

About (3S,4S)-4-[4-(2-phenylethyl)piperazin-1-yl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-3-ol

(3S,4S)-4-[4-(2-phenylethyl)piperazin-1-yl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-3-ol (PubChem CID 133134867) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is (3S,4S)-4-[4-(2-phenylethyl)piperazin-1-yl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[4-(2-phenylethyl)piperazin-1-yl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-3-ol
PubChem CID133134867
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name(3S,4S)-4-[4-(2-phenylethyl)piperazin-1-yl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-3-ol
SMILESCC(C)c1nc(N2CC[C@H](N3CCN(CCc4ccccc4)CC3)[C@@H](O)C2)no1
InChIInChI=1S/C22H33N5O2/c1-17(2)21-23-22(24-29-21)27-11-9-19(20(28)16-27)26-14-12-25(13-15-26)10-8-18-6-4-3-5-7-18/h3-7,17,19-20,28H,8-16H2,1-2H3/t19-,20-/m0/s1
InChIKeyUGFTUJJOFRRLRT-PMACEKPBSA-N
XLogP1.99
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S,4S)-4-[4-(2-phenylethyl)piperazin-1-yl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

6-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 56871961
(3S)-N-(2-phenylethyl)-1-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 96571753
(3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol
CID 29085357
(3R,4R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol
CID 29023638
[(3S,4S)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 133119092
furan-3-yl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 30728450
(3R,4R)-1-[[4-(difluoromethoxy)phenyl]methyl]-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol
CID 45232296
(3R,4R)-1-(2-phenylethyl)-4-piperidin-1-ylpyrrolidin-3-ol
CID 133118132
(3R)-1-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95128882
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
(1S)-3-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104983514
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[4-(2-phenylethyl)piperazin-1-yl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-3-ol?
The IUPAC name of (3S,4S)-4-[4-(2-phenylethyl)piperazin-1-yl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-3-ol (CID 133134867) is (3S,4S)-4-[4-(2-phenylethyl)piperazin-1-yl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-[4-(2-phenylethyl)piperazin-1-yl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-[4-(2-phenylethyl)piperazin-1-yl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-3-ol is CC(C)c1nc(N2CC[C@H](N3CCN(CCc4ccccc4)CC3)[C@@H](O)C2)no1.
What is the InChIKey of (3S,4S)-4-[4-(2-phenylethyl)piperazin-1-yl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-3-ol?
The InChIKey is UGFTUJJOFRRLRT-PMACEKPBSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-17(2)21-23-22(24-29-21)27-11-9-19(20(28)16-27)26-14-12-25(13-15-26)10-8-18-6-4-3-5-7-18/h3-7,17,19-20,28H,8-16H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of (3S,4S)-4-[4-(2-phenylethyl)piperazin-1-yl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-3-ol?
(3S,4S)-4-[4-(2-phenylethyl)piperazin-1-yl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-3-ol has a molecular weight of 399.54 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[4-(2-phenylethyl)piperazin-1-yl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-3-ol is sourced from PubChem (CID 133134867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).