N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-prop-2-enoylpiperidine-4-carboxamide

C19H28N4O3 — CID 166411028

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NC2(c3noc(C)n3)CCCCCC2)CC1
InChIInChI=1S/C19H28N4O3/c1-3-16(24)23-12-8-15(9-13-23)17(25)21-19(10-6-4-5-7-11-19)18-20-14(2)26-22-18/h3,15H,1,4-13H2,2H3,(H,21,25)
InChIKeySFWNWERLQVVQHN-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.47
Rot. Bonds4

About N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-prop-2-enoylpiperidine-4-carboxamide

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-prop-2-enoylpiperidine-4-carboxamide (PubChem CID 166411028) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-prop-2-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-prop-2-enoylpiperidine-4-carboxamide
PubChem CID166411028
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NC2(c3noc(C)n3)CCCCCC2)CC1
InChIInChI=1S/C19H28N4O3/c1-3-16(24)23-12-8-15(9-13-23)17(25)21-19(10-6-4-5-7-11-19)18-20-14(2)26-22-18/h3,15H,1,4-13H2,2H3,(H,21,25)
InChIKeySFWNWERLQVVQHN-UHFFFAOYSA-N
XLogP2.47
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-prop-2-enoylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-prop-2-enoylpiperidine-4-carboxamide (CID 166411028) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-prop-2-enoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-prop-2-enoylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-prop-2-enoylpiperidine-4-carboxamide is C=CC(=O)N1CCC(C(=O)NC2(c3noc(C)n3)CCCCCC2)CC1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-prop-2-enoylpiperidine-4-carboxamide?
The InChIKey is SFWNWERLQVVQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-3-16(24)23-12-8-15(9-13-23)17(25)21-19(10-6-4-5-7-11-19)18-20-14(2)26-22-18/h3,15H,1,4-13H2,2H3,(H,21,25).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-prop-2-enoylpiperidine-4-carboxamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-prop-2-enoylpiperidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-prop-2-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 166411028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).