1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide

C23H33N5O2 — CID 70717224

IUPAC1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1nnc(CN2CCC(N3CCCC(C(=O)NCCc4ccccc4)C3)CC2)o1
InChIInChI=1S/C23H33N5O2/c1-18-25-26-22(30-18)17-27-14-10-21(11-15-27)28-13-5-8-20(16-28)23(29)24-12-9-19-6-3-2-4-7-19/h2-4,6-7,20-21H,5,8-17H2,1H3,(H,24,29)
InChIKeyUMLRCDRBQBJVDX-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.41
Rot. Bonds7

About 1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide

1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 70717224) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID70717224
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1nnc(CN2CCC(N3CCCC(C(=O)NCCc4ccccc4)C3)CC2)o1
InChIInChI=1S/C23H33N5O2/c1-18-25-26-22(30-18)17-27-14-10-21(11-15-27)28-13-5-8-20(16-28)23(29)24-12-9-19-6-3-2-4-7-19/h2-4,6-7,20-21H,5,8-17H2,1H3,(H,24,29)
InChIKeyUMLRCDRBQBJVDX-UHFFFAOYSA-N
XLogP2.41
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide (CID 70717224) is 1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide is Cc1nnc(CN2CCC(N3CCCC(C(=O)NCCc4ccccc4)C3)CC2)o1.
What is the InChIKey of 1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is UMLRCDRBQBJVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-18-25-26-22(30-18)17-27-14-10-21(11-15-27)28-13-5-8-20(16-28)23(29)24-12-9-19-6-3-2-4-7-19/h2-4,6-7,20-21H,5,8-17H2,1H3,(H,24,29).
What are the key properties of 1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 70717224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).