1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide

C21H34N4O2 — CID 75131592

IUPAC1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide
SMILESCC1=CC(CN2CCC(C(N)=O)CC2)C(C(C)C)CC1Cc1nnc(C)o1
InChIInChI=1S/C21H34N4O2/c1-13(2)19-10-17(11-20-24-23-15(4)27-20)14(3)9-18(19)12-25-7-5-16(6-8-25)21(22)26/h9,13,16-19H,5-8,10-12H2,1-4H3,(H2,22,26)
InChIKeyNCFPQWWUPUPGCB-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.97
Rot. Bonds6

About 1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide

1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide (PubChem CID 75131592) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide
PubChem CID75131592
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide
SMILESCC1=CC(CN2CCC(C(N)=O)CC2)C(C(C)C)CC1Cc1nnc(C)o1
InChIInChI=1S/C21H34N4O2/c1-13(2)19-10-17(11-20-24-23-15(4)27-20)14(3)9-18(19)12-25-7-5-16(6-8-25)21(22)26/h9,13,16-19H,5-8,10-12H2,1-4H3,(H2,22,26)
InChIKeyNCFPQWWUPUPGCB-UHFFFAOYSA-N
XLogP2.97
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide (CID 75131592) is 1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide is CC1=CC(CN2CCC(C(N)=O)CC2)C(C(C)C)CC1Cc1nnc(C)o1.
What is the InChIKey of 1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide?
The InChIKey is NCFPQWWUPUPGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-13(2)19-10-17(11-20-24-23-15(4)27-20)14(3)9-18(19)12-25-7-5-16(6-8-25)21(22)26/h9,13,16-19H,5-8,10-12H2,1-4H3,(H2,22,26).
What are the key properties of 1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide?
1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 75131592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).