N-cyclopropyl-3-[4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propanamide

C16H27N5O2 — CID 71910786

IUPACN-cyclopropyl-3-[4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propanamide
SMILESCCc1nnc(C(C)N2CCN(CCC(=O)NC3CC3)CC2)o1
InChIInChI=1S/C16H27N5O2/c1-3-15-18-19-16(23-15)12(2)21-10-8-20(9-11-21)7-6-14(22)17-13-4-5-13/h12-13H,3-11H2,1-2H3,(H,17,22)
InChIKeyAKHIRBSIAOHGQN-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.98
Rot. Bonds7

About N-cyclopropyl-3-[4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propanamide

N-cyclopropyl-3-[4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propanamide (PubChem CID 71910786) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propanamide
PubChem CID71910786
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-cyclopropyl-3-[4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propanamide
SMILESCCc1nnc(C(C)N2CCN(CCC(=O)NC3CC3)CC2)o1
InChIInChI=1S/C16H27N5O2/c1-3-15-18-19-16(23-15)12(2)21-10-8-20(9-11-21)7-6-14(22)17-13-4-5-13/h12-13H,3-11H2,1-2H3,(H,17,22)
InChIKeyAKHIRBSIAOHGQN-UHFFFAOYSA-N
XLogP0.98
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 38146777
N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]propanamide
CID 45826491
(3S)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperazin-2-one
CID 95157382
(2S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide
CID 164635902
N-(propan-2-yl)-2-(4-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperazin-1-yl)propanamide
CID 163344537
N1-cyclopropyl-N2-((5-methyl-1,3,4-oxadiazol-2-yl)methyl)oxalamide
CID 45584833
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-isopropyl-2-(1-isopropyl-3-oxo-2-piperazinyl)acetamide
CID 56895504
1-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine
CID 43556527
N-[1-[5-(1-acetamidoethyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide
CID 59539442
2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 82756196
N-[[5-[[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 90928615
2-Methyl-5-piperazin-2-yl-1,3,4-oxadiazole
CID 130956410

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propanamide (CID 71910786) is N-cyclopropyl-3-[4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propanamide is CCc1nnc(C(C)N2CCN(CCC(=O)NC3CC3)CC2)o1.
What is the InChIKey of N-cyclopropyl-3-[4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propanamide?
The InChIKey is AKHIRBSIAOHGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-3-15-18-19-16(23-15)12(2)21-10-8-20(9-11-21)7-6-14(22)17-13-4-5-13/h12-13H,3-11H2,1-2H3,(H,17,22).
What are the key properties of N-cyclopropyl-3-[4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propanamide?
N-cyclopropyl-3-[4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propanamide has a molecular weight of 321.43 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 71910786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).