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

C18H31N5O2 — CID 49124030

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
SMILESCc1noc(C2CCN(C(=O)NCC(C)N3CCCC(C)C3)CC2)n1
InChIInChI=1S/C18H31N5O2/c1-13-5-4-8-23(12-13)14(2)11-19-18(24)22-9-6-16(7-10-22)17-20-15(3)21-25-17/h13-14,16H,4-12H2,1-3H3,(H,19,24)
InChIKeyVCLMGWSGHYKYIG-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.39
Rot. Bonds4

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

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide (PubChem CID 49124030) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
PubChem CID49124030
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
SMILESCc1noc(C2CCN(C(=O)NCC(C)N3CCCC(C)C3)CC2)n1
InChIInChI=1S/C18H31N5O2/c1-13-5-4-8-23(12-13)14(2)11-19-18(24)22-9-6-16(7-10-22)17-20-15(3)21-25-17/h13-14,16H,4-12H2,1-3H3,(H,19,24)
InChIKeyVCLMGWSGHYKYIG-UHFFFAOYSA-N
XLogP2.39
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide (CID 49124030) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide is Cc1noc(C2CCN(C(=O)NCC(C)N3CCCC(C)C3)CC2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide?
The InChIKey is VCLMGWSGHYKYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-13-5-4-8-23(12-13)14(2)11-19-18(24)22-9-6-16(7-10-22)17-20-15(3)21-25-17/h13-14,16H,4-12H2,1-3H3,(H,19,24).
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide?
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 49124030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).