[4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-1-yl]-phenylmethanone

C20H26N4O2 — CID 50953481

IUPAC[4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(NCc2noc(C3CCCC3)n2)CC1
InChIInChI=1S/C20H26N4O2/c25-20(16-8-2-1-3-9-16)24-12-10-17(11-13-24)21-14-18-22-19(26-23-18)15-6-4-5-7-15/h1-3,8-9,15,17,21H,4-7,10-14H2
InChIKeyMWXKIUZBFKTAGF-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.12
Rot. Bonds5

About [4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-1-yl]-phenylmethanone

[4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-1-yl]-phenylmethanone (PubChem CID 50953481) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-1-yl]-phenylmethanone
PubChem CID50953481
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(NCc2noc(C3CCCC3)n2)CC1
InChIInChI=1S/C20H26N4O2/c25-20(16-8-2-1-3-9-16)24-12-10-17(11-13-24)21-14-18-22-19(26-23-18)15-6-4-5-7-15/h1-3,8-9,15,17,21H,4-7,10-14H2
InChIKeyMWXKIUZBFKTAGF-UHFFFAOYSA-N
XLogP3.12
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 120852061
(5S)-5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(cyclopropylmethyl)azepan-2-one
CID 95196636
4-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzoic acid
CID 167763221
[6-[(3R)-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]naphthalen-2-yl]-[(3R)-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 177345083
[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 56728060
phenyl-[4-(2-phenylethylamino)piperidin-1-yl]methanone
CID 142654870
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide
CID 72899381
[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-phenylmethanone
CID 126775264
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 50754933
[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-phenylmethanone
CID 121097488
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-fluorophenyl)methanone
CID 121092950
phenyl-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]methanone
CID 95142062

Frequently Asked Questions

What is the IUPAC name of [4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-1-yl]-phenylmethanone (CID 50953481) is [4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(NCc2noc(C3CCCC3)n2)CC1.
What is the InChIKey of [4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-1-yl]-phenylmethanone?
The InChIKey is MWXKIUZBFKTAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-20(16-8-2-1-3-9-16)24-12-10-17(11-13-24)21-14-18-22-19(26-23-18)15-6-4-5-7-15/h1-3,8-9,15,17,21H,4-7,10-14H2.
What are the key properties of [4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-1-yl]-phenylmethanone?
[4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-1-yl]-phenylmethanone has a molecular weight of 354.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 50953481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).