3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethylurea

C18H29N5O3 — CID 126430063

IUPAC3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethylurea
SMILESCCN(Cc1noc(C2CCC2)n1)C(=O)NC[C@@H]1CCCN(C(C)=O)C1
InChIInChI=1S/C18H29N5O3/c1-3-22(12-16-20-17(26-21-16)15-7-4-8-15)18(25)19-10-14-6-5-9-23(11-14)13(2)24/h14-15H,3-12H2,1-2H3,(H,19,25)/t14-/m0/s1
InChIKeyPVEKDCQQXRNZMB-AWEZNQCLSA-N
MW363.46 g/mol
LogP2.13
Rot. Bonds6

About 3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethylurea

3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethylurea (PubChem CID 126430063) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethylurea.

Molecular Properties

Compound Name3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethylurea
PubChem CID126430063
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethylurea
SMILESCCN(Cc1noc(C2CCC2)n1)C(=O)NC[C@@H]1CCCN(C(C)=O)C1
InChIInChI=1S/C18H29N5O3/c1-3-22(12-16-20-17(26-21-16)15-7-4-8-15)18(25)19-10-14-6-5-9-23(11-14)13(2)24/h14-15H,3-12H2,1-2H3,(H,19,25)/t14-/m0/s1
InChIKeyPVEKDCQQXRNZMB-AWEZNQCLSA-N
XLogP2.13
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-[(2S)-2-methylbutyl]urea
CID 126441521
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea
CID 119068258
(3R,6S)-1-acetyl-6-amino-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylazepane-3-carboxamide
CID 165421747
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 56871099
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131904872
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide
CID 70752025
3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 126434909
1-[(3R)-3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 129377258
(3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpiperidine-1-carboxamide
CID 97193337
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methyl-1-benzofuran-7-yl)urea
CID 72895206
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea
CID 118760709
4-chloro-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
CID 119063058

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethylurea?
The IUPAC name of 3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethylurea (CID 126430063) is 3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethylurea.
What is the SMILES notation for 3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethylurea?
The canonical SMILES for 3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethylurea is CCN(Cc1noc(C2CCC2)n1)C(=O)NC[C@@H]1CCCN(C(C)=O)C1.
What is the InChIKey of 3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethylurea?
The InChIKey is PVEKDCQQXRNZMB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-3-22(12-16-20-17(26-21-16)15-7-4-8-15)18(25)19-10-14-6-5-9-23(11-14)13(2)24/h14-15H,3-12H2,1-2H3,(H,19,25)/t14-/m0/s1.
What are the key properties of 3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethylurea?
3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethylurea has a molecular weight of 363.46 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethylurea is sourced from PubChem (CID 126430063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).