[(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-piperidin-1-ylmethanone

C14H22N4O2 — CID 118791657

IUPAC[(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESCc1nnc(CN2CCC[C@H]2C(=O)N2CCCCC2)o1
InChIInChI=1S/C14H22N4O2/c1-11-15-16-13(20-11)10-18-9-5-6-12(18)14(19)17-7-3-2-4-8-17/h12H,2-10H2,1H3/t12-/m0/s1
InChIKeyPQDSZZIMAVUEKX-LBPRGKRZSA-N
MW278.36 g/mol
LogP1.35
Rot. Bonds3

About [(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-piperidin-1-ylmethanone

[(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 118791657) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
PubChem CID118791657
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESCc1nnc(CN2CCC[C@H]2C(=O)N2CCCCC2)o1
InChIInChI=1S/C14H22N4O2/c1-11-15-16-13(20-11)10-18-9-5-6-12(18)14(19)17-7-3-2-4-8-17/h12H,2-10H2,1H3/t12-/m0/s1
InChIKeyPQDSZZIMAVUEKX-LBPRGKRZSA-N
XLogP1.35
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-piperidin-1-ylmethanone (CID 118791657) is [(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-piperidin-1-ylmethanone is Cc1nnc(CN2CCC[C@H]2C(=O)N2CCCCC2)o1.
What is the InChIKey of [(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is PQDSZZIMAVUEKX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-15-16-13(20-11)10-18-9-5-6-12(18)14(19)17-7-3-2-4-8-17/h12H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of [(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-piperidin-1-ylmethanone?
[(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 278.36 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 118791657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).