1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol

C14H23N3O3 — CID 56906304

IUPAC1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol
SMILESOCC1(O)CCCN(Cc2noc(C3CCCC3)n2)C1
InChIInChI=1S/C14H23N3O3/c18-10-14(19)6-3-7-17(9-14)8-12-15-13(20-16-12)11-4-1-2-5-11/h11,18-19H,1-10H2
InChIKeyBPGDHXNTSBDCTF-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.05
Rot. Bonds4

About 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol

1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol (PubChem CID 56906304) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol
PubChem CID56906304
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol
SMILESOCC1(O)CCCN(Cc2noc(C3CCCC3)n2)C1
InChIInChI=1S/C14H23N3O3/c18-10-14(19)6-3-7-17(9-14)8-12-15-13(20-16-12)11-4-1-2-5-11/h11,18-19H,1-10H2
InChIKeyBPGDHXNTSBDCTF-UHFFFAOYSA-N
XLogP1.05
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanol
CID 97128686
(3S)-3-(hydroxymethyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 95713854
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103728887
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137128
(5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97115757
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55164811
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 62372084
11-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane
CID 86788406
(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431
4-(4-chlorophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol
CID 91839373
2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 79606646
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 54595428

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol (CID 56906304) is 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol is OCC1(O)CCCN(Cc2noc(C3CCCC3)n2)C1.
What is the InChIKey of 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol?
The InChIKey is BPGDHXNTSBDCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c18-10-14(19)6-3-7-17(9-14)8-12-15-13(20-16-12)11-4-1-2-5-11/h11,18-19H,1-10H2.
What are the key properties of 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol?
1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol has a molecular weight of 281.36 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 56906304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).