1-[4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

C22H28N4O2 — CID 155265740

IUPAC1-[4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(C3(CN[C@H]4CC4c4ccccc4)CC3)no2)CC1
InChIInChI=1S/C22H28N4O2/c1-15(27)26-11-7-17(8-12-26)20-24-21(25-28-20)22(9-10-22)14-23-19-13-18(19)16-5-3-2-4-6-16/h2-6,17-19,23H,7-14H2,1H3/t18?,19-/m0/s1
InChIKeyUGKDWCQOIAGSKM-GGYWPGCISA-N
MW380.49 g/mol
LogP2.97
Rot. Bonds6

About 1-[4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

1-[4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 155265740) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
PubChem CID155265740
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(C3(CN[C@H]4CC4c4ccccc4)CC3)no2)CC1
InChIInChI=1S/C22H28N4O2/c1-15(27)26-11-7-17(8-12-26)20-24-21(25-28-20)22(9-10-22)14-23-19-13-18(19)16-5-3-2-4-6-16/h2-6,17-19,23H,7-14H2,1H3/t18?,19-/m0/s1
InChIKeyUGKDWCQOIAGSKM-GGYWPGCISA-N
XLogP2.97
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (CID 155265740) is 1-[4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nc(C3(CN[C@H]4CC4c4ccccc4)CC3)no2)CC1.
What is the InChIKey of 1-[4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is UGKDWCQOIAGSKM-GGYWPGCISA-N. The full InChI is InChI=1S/C22H28N4O2/c1-15(27)26-11-7-17(8-12-26)20-24-21(25-28-20)22(9-10-22)14-23-19-13-18(19)16-5-3-2-4-6-16/h2-6,17-19,23H,7-14H2,1H3/t18?,19-/m0/s1.
What are the key properties of 1-[4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
1-[4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 380.49 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 155265740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).