N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C25H37N5O2 — CID 129105286

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)c1noc(C2CCN(C(=O)NCCC3CCN(Cc4ccccc4)CC3)CC2)n1
InChIInChI=1S/C25H37N5O2/c1-19(2)23-27-24(32-28-23)22-11-16-30(17-12-22)25(31)26-13-8-20-9-14-29(15-10-20)18-21-6-4-3-5-7-21/h3-7,19-20,22H,8-18H2,1-2H3,(H,26,31)
InChIKeyKXQCCNOXHRFGCP-UHFFFAOYSA-N
MW439.60 g/mol
LogP4.38
Rot. Bonds7

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 129105286) has the molecular formula C25H37N5O2 and a molecular weight of 439.60 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID129105286
Molecular FormulaC25H37N5O2
Molecular Weight439.60 g/mol
Exact Mass439.29
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)c1noc(C2CCN(C(=O)NCCC3CCN(Cc4ccccc4)CC3)CC2)n1
InChIInChI=1S/C25H37N5O2/c1-19(2)23-27-24(32-28-23)22-11-16-30(17-12-22)25(31)26-13-8-20-9-14-29(15-10-20)18-21-6-4-3-5-7-21/h3-7,19-20,22H,8-18H2,1-2H3,(H,26,31)
InChIKeyKXQCCNOXHRFGCP-UHFFFAOYSA-N
XLogP4.38
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 129105286) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is CC(C)c1noc(C2CCN(C(=O)NCCC3CCN(Cc4ccccc4)CC3)CC2)n1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is KXQCCNOXHRFGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O2/c1-19(2)23-27-24(32-28-23)22-11-16-30(17-12-22)25(31)26-13-8-20-9-14-29(15-10-20)18-21-6-4-3-5-7-21/h3-7,19-20,22H,8-18H2,1-2H3,(H,26,31).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 439.60 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 129105286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).