1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride

C17H29ClN4O2 — CID 120854425

IUPAC1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
SMILESCCC(C)C(=O)N1CCCC(c2nc(C3(N)CCCC3)no2)C1.Cl
InChIInChI=1S/C17H28N4O2.ClH/c1-3-12(2)15(22)21-10-6-7-13(11-21)14-19-16(20-23-14)17(18)8-4-5-9-17;/h12-13H,3-11,18H2,1-2H3;1H
InChIKeyMFAANGKCYPQKMF-UHFFFAOYSA-N
MW356.90 g/mol
LogP2.97
Rot. Bonds4

About 1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride

1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride (PubChem CID 120854425) has the molecular formula C17H29ClN4O2 and a molecular weight of 356.90 g/mol. Its IUPAC name is 1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
PubChem CID120854425
Molecular FormulaC17H29ClN4O2
Molecular Weight356.90 g/mol
Exact Mass356.20
IUPAC Name1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
SMILESCCC(C)C(=O)N1CCCC(c2nc(C3(N)CCCC3)no2)C1.Cl
InChIInChI=1S/C17H28N4O2.ClH/c1-3-12(2)15(22)21-10-6-7-13(11-21)14-19-16(20-23-14)17(18)8-4-5-9-17;/h12-13H,3-11,18H2,1-2H3;1H
InChIKeyMFAANGKCYPQKMF-UHFFFAOYSA-N
XLogP2.97
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120856198
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 120853614
[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 120856946
2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120867629
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120859549
1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120853388
1-[3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 56728197
1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 120862036
(2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119112349
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one
CID 120856196

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride?
The IUPAC name of 1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride (CID 120854425) is 1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride?
The canonical SMILES for 1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride is CCC(C)C(=O)N1CCCC(c2nc(C3(N)CCCC3)no2)C1.Cl.
What is the InChIKey of 1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride?
The InChIKey is MFAANGKCYPQKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2.ClH/c1-3-12(2)15(22)21-10-6-7-13(11-21)14-19-16(20-23-14)17(18)8-4-5-9-17;/h12-13H,3-11,18H2,1-2H3;1H.
What are the key properties of 1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride?
1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride has a molecular weight of 356.90 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride is sourced from PubChem (CID 120854425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).